diff --git a/docs/pyerrors/fits.html b/docs/pyerrors/fits.html index de661b1a..c07b6405 100644 --- a/docs/pyerrors/fits.html +++ b/docs/pyerrors/fits.html @@ -112,751 +112,778 @@ 9from matplotlib import gridspec 10from scipy.odr import ODR, Model, RealData 11import iminuit - 12from autograd import jacobian - 13from autograd import elementwise_grad as egrad - 14from .obs import Obs, derived_observable, covariance, cov_Obs - 15 - 16 - 17class Fit_result(Sequence): - 18 """Represents fit results. + 12from autograd import jacobian as auto_jacobian + 13from autograd import hessian as auto_hessian + 14from autograd import elementwise_grad as egrad + 15from numdifftools import Jacobian as num_jacobian + 16from numdifftools import Hessian as num_hessian + 17from .obs import Obs, derived_observable, covariance, cov_Obs + 18 19 - 20 Attributes - 21 ---------- - 22 fit_parameters : list - 23 results for the individual fit parameters, - 24 also accessible via indices. - 25 """ - 26 - 27 def __init__(self): - 28 self.fit_parameters = None + 20class Fit_result(Sequence): + 21 """Represents fit results. + 22 + 23 Attributes + 24 ---------- + 25 fit_parameters : list + 26 results for the individual fit parameters, + 27 also accessible via indices. + 28 """ 29 - 30 def __getitem__(self, idx): - 31 return self.fit_parameters[idx] + 30 def __init__(self): + 31 self.fit_parameters = None 32 - 33 def __len__(self): - 34 return len(self.fit_parameters) + 33 def __getitem__(self, idx): + 34 return self.fit_parameters[idx] 35 - 36 def gamma_method(self, **kwargs): - 37 """Apply the gamma method to all fit parameters""" - 38 [o.gamma_method(**kwargs) for o in self.fit_parameters] - 39 - 40 def __str__(self): - 41 my_str = 'Goodness of fit:\n' - 42 if hasattr(self, 'chisquare_by_dof'): - 43 my_str += '\u03C7\u00b2/d.o.f. = ' + f'{self.chisquare_by_dof:2.6f}' + '\n' - 44 elif hasattr(self, 'residual_variance'): - 45 my_str += 'residual variance = ' + f'{self.residual_variance:2.6f}' + '\n' - 46 if hasattr(self, 'chisquare_by_expected_chisquare'): - 47 my_str += '\u03C7\u00b2/\u03C7\u00b2exp = ' + f'{self.chisquare_by_expected_chisquare:2.6f}' + '\n' - 48 if hasattr(self, 'p_value'): - 49 my_str += 'p-value = ' + f'{self.p_value:2.4f}' + '\n' - 50 my_str += 'Fit parameters:\n' - 51 for i_par, par in enumerate(self.fit_parameters): - 52 my_str += str(i_par) + '\t' + ' ' * int(par >= 0) + str(par).rjust(int(par < 0.0)) + '\n' - 53 return my_str - 54 - 55 def __repr__(self): - 56 m = max(map(len, list(self.__dict__.keys()))) + 1 - 57 return '\n'.join([key.rjust(m) + ': ' + repr(value) for key, value in sorted(self.__dict__.items())]) - 58 - 59 - 60def least_squares(x, y, func, priors=None, silent=False, **kwargs): - 61 r'''Performs a non-linear fit to y = func(x). + 36 def __len__(self): + 37 return len(self.fit_parameters) + 38 + 39 def gamma_method(self, **kwargs): + 40 """Apply the gamma method to all fit parameters""" + 41 [o.gamma_method(**kwargs) for o in self.fit_parameters] + 42 + 43 def __str__(self): + 44 my_str = 'Goodness of fit:\n' + 45 if hasattr(self, 'chisquare_by_dof'): + 46 my_str += '\u03C7\u00b2/d.o.f. = ' + f'{self.chisquare_by_dof:2.6f}' + '\n' + 47 elif hasattr(self, 'residual_variance'): + 48 my_str += 'residual variance = ' + f'{self.residual_variance:2.6f}' + '\n' + 49 if hasattr(self, 'chisquare_by_expected_chisquare'): + 50 my_str += '\u03C7\u00b2/\u03C7\u00b2exp = ' + f'{self.chisquare_by_expected_chisquare:2.6f}' + '\n' + 51 if hasattr(self, 'p_value'): + 52 my_str += 'p-value = ' + f'{self.p_value:2.4f}' + '\n' + 53 my_str += 'Fit parameters:\n' + 54 for i_par, par in enumerate(self.fit_parameters): + 55 my_str += str(i_par) + '\t' + ' ' * int(par >= 0) + str(par).rjust(int(par < 0.0)) + '\n' + 56 return my_str + 57 + 58 def __repr__(self): + 59 m = max(map(len, list(self.__dict__.keys()))) + 1 + 60 return '\n'.join([key.rjust(m) + ': ' + repr(value) for key, value in sorted(self.__dict__.items())]) + 61 62 - 63 Parameters - 64 ---------- - 65 x : list - 66 list of floats. - 67 y : list - 68 list of Obs. - 69 func : object - 70 fit function, has to be of the form - 71 - 72 ```python - 73 import autograd.numpy as anp + 63def least_squares(x, y, func, priors=None, silent=False, **kwargs): + 64 r'''Performs a non-linear fit to y = func(x). + 65 + 66 Parameters + 67 ---------- + 68 x : list + 69 list of floats. + 70 y : list + 71 list of Obs. + 72 func : object + 73 fit function, has to be of the form 74 - 75 def func(a, x): - 76 return a[0] + a[1] * x + a[2] * anp.sinh(x) - 77 ``` - 78 - 79 For multiple x values func can be of the form - 80 - 81 ```python - 82 def func(a, x): - 83 (x1, x2) = x - 84 return a[0] * x1 ** 2 + a[1] * x2 - 85 ``` - 86 - 87 It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation - 88 will not work. - 89 priors : list, optional - 90 priors has to be a list with an entry for every parameter in the fit. The entries can either be - 91 Obs (e.g. results from a previous fit) or strings containing a value and an error formatted like - 92 0.548(23), 500(40) or 0.5(0.4) - 93 silent : bool, optional - 94 If true all output to the console is omitted (default False). - 95 initial_guess : list - 96 can provide an initial guess for the input parameters. Relevant for - 97 non-linear fits with many parameters. In case of correlated fits the guess is used to perform - 98 an uncorrelated fit which then serves as guess for the correlated fit. - 99 method : str, optional -100 can be used to choose an alternative method for the minimization of chisquare. -101 The possible methods are the ones which can be used for scipy.optimize.minimize and -102 migrad of iminuit. If no method is specified, Levenberg-Marquard is used. -103 Reliable alternatives are migrad, Powell and Nelder-Mead. -104 correlated_fit : bool -105 If True, use the full inverse covariance matrix in the definition of the chisquare cost function. -106 For details about how the covariance matrix is estimated see `pyerrors.obs.covariance`. -107 In practice the correlation matrix is Cholesky decomposed and inverted (instead of the covariance matrix). -108 This procedure should be numerically more stable as the correlation matrix is typically better conditioned (Jacobi preconditioning). -109 At the moment this option only works for `prior==None` and when no `method` is given. -110 expected_chisquare : bool -111 If True estimates the expected chisquare which is -112 corrected by effects caused by correlated input data (default False). -113 resplot : bool -114 If True, a plot which displays fit, data and residuals is generated (default False). -115 qqplot : bool -116 If True, a quantile-quantile plot of the fit result is generated (default False). -117 ''' -118 if priors is not None: -119 return _prior_fit(x, y, func, priors, silent=silent, **kwargs) -120 else: -121 return _standard_fit(x, y, func, silent=silent, **kwargs) -122 -123 -124def total_least_squares(x, y, func, silent=False, **kwargs): -125 r'''Performs a non-linear fit to y = func(x) and returns a list of Obs corresponding to the fit parameters. -126 -127 Parameters -128 ---------- -129 x : list -130 list of Obs, or a tuple of lists of Obs -131 y : list -132 list of Obs. The dvalues of the Obs are used as x- and yerror for the fit. -133 func : object -134 func has to be of the form -135 -136 ```python -137 import autograd.numpy as anp -138 -139 def func(a, x): -140 return a[0] + a[1] * x + a[2] * anp.sinh(x) -141 ``` -142 -143 For multiple x values func can be of the form -144 -145 ```python -146 def func(a, x): -147 (x1, x2) = x -148 return a[0] * x1 ** 2 + a[1] * x2 -149 ``` -150 -151 It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation -152 will not work. -153 silent : bool, optional -154 If true all output to the console is omitted (default False). -155 initial_guess : list -156 can provide an initial guess for the input parameters. Relevant for non-linear -157 fits with many parameters. -158 expected_chisquare : bool -159 If true prints the expected chisquare which is -160 corrected by effects caused by correlated input data. -161 This can take a while as the full correlation matrix -162 has to be calculated (default False). -163 -164 Notes -165 ----- -166 Based on the orthogonal distance regression module of scipy -167 ''' -168 -169 output = Fit_result() + 75 ```python + 76 import autograd.numpy as anp + 77 + 78 def func(a, x): + 79 return a[0] + a[1] * x + a[2] * anp.sinh(x) + 80 ``` + 81 + 82 For multiple x values func can be of the form + 83 + 84 ```python + 85 def func(a, x): + 86 (x1, x2) = x + 87 return a[0] * x1 ** 2 + a[1] * x2 + 88 ``` + 89 + 90 It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation + 91 will not work. + 92 priors : list, optional + 93 priors has to be a list with an entry for every parameter in the fit. The entries can either be + 94 Obs (e.g. results from a previous fit) or strings containing a value and an error formatted like + 95 0.548(23), 500(40) or 0.5(0.4) + 96 silent : bool, optional + 97 If true all output to the console is omitted (default False). + 98 initial_guess : list + 99 can provide an initial guess for the input parameters. Relevant for +100 non-linear fits with many parameters. In case of correlated fits the guess is used to perform +101 an uncorrelated fit which then serves as guess for the correlated fit. +102 method : str, optional +103 can be used to choose an alternative method for the minimization of chisquare. +104 The possible methods are the ones which can be used for scipy.optimize.minimize and +105 migrad of iminuit. If no method is specified, Levenberg-Marquard is used. +106 Reliable alternatives are migrad, Powell and Nelder-Mead. +107 correlated_fit : bool +108 If True, use the full inverse covariance matrix in the definition of the chisquare cost function. +109 For details about how the covariance matrix is estimated see `pyerrors.obs.covariance`. +110 In practice the correlation matrix is Cholesky decomposed and inverted (instead of the covariance matrix). +111 This procedure should be numerically more stable as the correlation matrix is typically better conditioned (Jacobi preconditioning). +112 At the moment this option only works for `prior==None` and when no `method` is given. +113 expected_chisquare : bool +114 If True estimates the expected chisquare which is +115 corrected by effects caused by correlated input data (default False). +116 resplot : bool +117 If True, a plot which displays fit, data and residuals is generated (default False). +118 qqplot : bool +119 If True, a quantile-quantile plot of the fit result is generated (default False). +120 num_grad : bool +121 Use numerical differentation instead of automatic differentiation to perform the error propagation (default False). +122 ''' +123 if priors is not None: +124 return _prior_fit(x, y, func, priors, silent=silent, **kwargs) +125 else: +126 return _standard_fit(x, y, func, silent=silent, **kwargs) +127 +128 +129def total_least_squares(x, y, func, silent=False, **kwargs): +130 r'''Performs a non-linear fit to y = func(x) and returns a list of Obs corresponding to the fit parameters. +131 +132 Parameters +133 ---------- +134 x : list +135 list of Obs, or a tuple of lists of Obs +136 y : list +137 list of Obs. The dvalues of the Obs are used as x- and yerror for the fit. +138 func : object +139 func has to be of the form +140 +141 ```python +142 import autograd.numpy as anp +143 +144 def func(a, x): +145 return a[0] + a[1] * x + a[2] * anp.sinh(x) +146 ``` +147 +148 For multiple x values func can be of the form +149 +150 ```python +151 def func(a, x): +152 (x1, x2) = x +153 return a[0] * x1 ** 2 + a[1] * x2 +154 ``` +155 +156 It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation +157 will not work. +158 silent : bool, optional +159 If true all output to the console is omitted (default False). +160 initial_guess : list +161 can provide an initial guess for the input parameters. Relevant for non-linear +162 fits with many parameters. +163 expected_chisquare : bool +164 If true prints the expected chisquare which is +165 corrected by effects caused by correlated input data. +166 This can take a while as the full correlation matrix +167 has to be calculated (default False). +168 num_grad : bool +169 Use numerical differentation instead of automatic differentiation to perform the error propagation (default False). 170 -171 output.fit_function = func -172 -173 x = np.array(x) -174 -175 x_shape = x.shape -176 -177 if not callable(func): -178 raise TypeError('func has to be a function.') +171 Notes +172 ----- +173 Based on the orthogonal distance regression module of scipy +174 ''' +175 +176 output = Fit_result() +177 +178 output.fit_function = func 179 -180 for i in range(42): -181 try: -182 func(np.arange(i), x.T[0]) -183 except TypeError: -184 continue -185 except IndexError: -186 continue -187 else: -188 break -189 else: -190 raise RuntimeError("Fit function is not valid.") -191 -192 n_parms = i -193 if not silent: -194 print('Fit with', n_parms, 'parameter' + 's' * (n_parms > 1)) -195 -196 x_f = np.vectorize(lambda o: o.value)(x) -197 dx_f = np.vectorize(lambda o: o.dvalue)(x) -198 y_f = np.array([o.value for o in y]) -199 dy_f = np.array([o.dvalue for o in y]) -200 -201 if np.any(np.asarray(dx_f) <= 0.0): -202 raise Exception('No x errors available, run the gamma method first.') -203 -204 if np.any(np.asarray(dy_f) <= 0.0): -205 raise Exception('No y errors available, run the gamma method first.') -206 -207 if 'initial_guess' in kwargs: -208 x0 = kwargs.get('initial_guess') -209 if len(x0) != n_parms: -210 raise Exception('Initial guess does not have the correct length: %d vs. %d' % (len(x0), n_parms)) -211 else: -212 x0 = [1] * n_parms -213 -214 data = RealData(x_f, y_f, sx=dx_f, sy=dy_f) -215 model = Model(func) -216 odr = ODR(data, model, x0, partol=np.finfo(np.float64).eps) -217 odr.set_job(fit_type=0, deriv=1) -218 out = odr.run() -219 -220 output.residual_variance = out.res_var -221 -222 output.method = 'ODR' -223 -224 output.message = out.stopreason -225 -226 output.xplus = out.xplus +180 x = np.array(x) +181 +182 x_shape = x.shape +183 +184 if kwargs.get('num_grad') is True: +185 jacobian = num_jacobian +186 hessian = num_hessian +187 else: +188 jacobian = auto_jacobian +189 hessian = auto_hessian +190 +191 if not callable(func): +192 raise TypeError('func has to be a function.') +193 +194 for i in range(42): +195 try: +196 func(np.arange(i), x.T[0]) +197 except TypeError: +198 continue +199 except IndexError: +200 continue +201 else: +202 break +203 else: +204 raise RuntimeError("Fit function is not valid.") +205 +206 n_parms = i +207 if not silent: +208 print('Fit with', n_parms, 'parameter' + 's' * (n_parms > 1)) +209 +210 x_f = np.vectorize(lambda o: o.value)(x) +211 dx_f = np.vectorize(lambda o: o.dvalue)(x) +212 y_f = np.array([o.value for o in y]) +213 dy_f = np.array([o.dvalue for o in y]) +214 +215 if np.any(np.asarray(dx_f) <= 0.0): +216 raise Exception('No x errors available, run the gamma method first.') +217 +218 if np.any(np.asarray(dy_f) <= 0.0): +219 raise Exception('No y errors available, run the gamma method first.') +220 +221 if 'initial_guess' in kwargs: +222 x0 = kwargs.get('initial_guess') +223 if len(x0) != n_parms: +224 raise Exception('Initial guess does not have the correct length: %d vs. %d' % (len(x0), n_parms)) +225 else: +226 x0 = [1] * n_parms 227 -228 if not silent: -229 print('Method: ODR') -230 print(*out.stopreason) -231 print('Residual variance:', output.residual_variance) -232 -233 if out.info > 3: -234 raise Exception('The minimization procedure did not converge.') +228 data = RealData(x_f, y_f, sx=dx_f, sy=dy_f) +229 model = Model(func) +230 odr = ODR(data, model, x0, partol=np.finfo(np.float64).eps) +231 odr.set_job(fit_type=0, deriv=1) +232 out = odr.run() +233 +234 output.residual_variance = out.res_var 235 -236 m = x_f.size +236 output.method = 'ODR' 237 -238 def odr_chisquare(p): -239 model = func(p[:n_parms], p[n_parms:].reshape(x_shape)) -240 chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((x_f - p[n_parms:].reshape(x_shape)) / dx_f) ** 2) -241 return chisq -242 -243 if kwargs.get('expected_chisquare') is True: -244 W = np.diag(1 / np.asarray(np.concatenate((dy_f.ravel(), dx_f.ravel())))) -245 -246 if kwargs.get('covariance') is not None: -247 cov = kwargs.get('covariance') -248 else: -249 cov = covariance(np.concatenate((y, x.ravel()))) -250 -251 number_of_x_parameters = int(m / x_f.shape[-1]) -252 -253 old_jac = jacobian(func)(out.beta, out.xplus) -254 fused_row1 = np.concatenate((old_jac, np.concatenate((number_of_x_parameters * [np.zeros(old_jac.shape)]), axis=0))) -255 fused_row2 = np.concatenate((jacobian(lambda x, y: func(y, x))(out.xplus, out.beta).reshape(x_f.shape[-1], x_f.shape[-1] * number_of_x_parameters), np.identity(number_of_x_parameters * old_jac.shape[0]))) -256 new_jac = np.concatenate((fused_row1, fused_row2), axis=1) -257 -258 A = W @ new_jac -259 P_phi = A @ np.linalg.pinv(A.T @ A) @ A.T -260 expected_chisquare = np.trace((np.identity(P_phi.shape[0]) - P_phi) @ W @ cov @ W) -261 if expected_chisquare <= 0.0: -262 warnings.warn("Negative expected_chisquare.", RuntimeWarning) -263 expected_chisquare = np.abs(expected_chisquare) -264 output.chisquare_by_expected_chisquare = odr_chisquare(np.concatenate((out.beta, out.xplus.ravel()))) / expected_chisquare -265 if not silent: -266 print('chisquare/expected_chisquare:', -267 output.chisquare_by_expected_chisquare) -268 -269 fitp = out.beta -270 try: -271 hess = jacobian(jacobian(odr_chisquare))(np.concatenate((fitp, out.xplus.ravel()))) -272 except TypeError: -273 raise Exception("It is required to use autograd.numpy instead of numpy within fit functions, see the documentation for details.") from None -274 -275 def odr_chisquare_compact_x(d): -276 model = func(d[:n_parms], d[n_parms:n_parms + m].reshape(x_shape)) -277 chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((d[n_parms + m:].reshape(x_shape) - d[n_parms:n_parms + m].reshape(x_shape)) / dx_f) ** 2) -278 return chisq -279 -280 jac_jac_x = jacobian(jacobian(odr_chisquare_compact_x))(np.concatenate((fitp, out.xplus.ravel(), x_f.ravel()))) -281 -282 # Compute hess^{-1} @ jac_jac_x[:n_parms + m, n_parms + m:] using LAPACK dgesv -283 try: -284 deriv_x = -scipy.linalg.solve(hess, jac_jac_x[:n_parms + m, n_parms + m:]) -285 except np.linalg.LinAlgError: -286 raise Exception("Cannot invert hessian matrix.") -287 -288 def odr_chisquare_compact_y(d): -289 model = func(d[:n_parms], d[n_parms:n_parms + m].reshape(x_shape)) -290 chisq = anp.sum(((d[n_parms + m:] - model) / dy_f) ** 2) + anp.sum(((x_f - d[n_parms:n_parms + m].reshape(x_shape)) / dx_f) ** 2) -291 return chisq -292 -293 jac_jac_y = jacobian(jacobian(odr_chisquare_compact_y))(np.concatenate((fitp, out.xplus.ravel(), y_f))) -294 -295 # Compute hess^{-1} @ jac_jac_y[:n_parms + m, n_parms + m:] using LAPACK dgesv -296 try: -297 deriv_y = -scipy.linalg.solve(hess, jac_jac_y[:n_parms + m, n_parms + m:]) -298 except np.linalg.LinAlgError: -299 raise Exception("Cannot invert hessian matrix.") -300 -301 result = [] -302 for i in range(n_parms): -303 result.append(derived_observable(lambda my_var, **kwargs: (my_var[0] + np.finfo(np.float64).eps) / (x.ravel()[0].value + np.finfo(np.float64).eps) * out.beta[i], list(x.ravel()) + list(y), man_grad=list(deriv_x[i]) + list(deriv_y[i]))) -304 -305 output.fit_parameters = result +238 output.message = out.stopreason +239 +240 output.xplus = out.xplus +241 +242 if not silent: +243 print('Method: ODR') +244 print(*out.stopreason) +245 print('Residual variance:', output.residual_variance) +246 +247 if out.info > 3: +248 raise Exception('The minimization procedure did not converge.') +249 +250 m = x_f.size +251 +252 def odr_chisquare(p): +253 model = func(p[:n_parms], p[n_parms:].reshape(x_shape)) +254 chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((x_f - p[n_parms:].reshape(x_shape)) / dx_f) ** 2) +255 return chisq +256 +257 if kwargs.get('expected_chisquare') is True: +258 W = np.diag(1 / np.asarray(np.concatenate((dy_f.ravel(), dx_f.ravel())))) +259 +260 if kwargs.get('covariance') is not None: +261 cov = kwargs.get('covariance') +262 else: +263 cov = covariance(np.concatenate((y, x.ravel()))) +264 +265 number_of_x_parameters = int(m / x_f.shape[-1]) +266 +267 old_jac = jacobian(func)(out.beta, out.xplus) +268 fused_row1 = np.concatenate((old_jac, np.concatenate((number_of_x_parameters * [np.zeros(old_jac.shape)]), axis=0))) +269 fused_row2 = np.concatenate((jacobian(lambda x, y: func(y, x))(out.xplus, out.beta).reshape(x_f.shape[-1], x_f.shape[-1] * number_of_x_parameters), np.identity(number_of_x_parameters * old_jac.shape[0]))) +270 new_jac = np.concatenate((fused_row1, fused_row2), axis=1) +271 +272 A = W @ new_jac +273 P_phi = A @ np.linalg.pinv(A.T @ A) @ A.T +274 expected_chisquare = np.trace((np.identity(P_phi.shape[0]) - P_phi) @ W @ cov @ W) +275 if expected_chisquare <= 0.0: +276 warnings.warn("Negative expected_chisquare.", RuntimeWarning) +277 expected_chisquare = np.abs(expected_chisquare) +278 output.chisquare_by_expected_chisquare = odr_chisquare(np.concatenate((out.beta, out.xplus.ravel()))) / expected_chisquare +279 if not silent: +280 print('chisquare/expected_chisquare:', +281 output.chisquare_by_expected_chisquare) +282 +283 fitp = out.beta +284 try: +285 hess = hessian(odr_chisquare)(np.concatenate((fitp, out.xplus.ravel()))) +286 except TypeError: +287 raise Exception("It is required to use autograd.numpy instead of numpy within fit functions, see the documentation for details.") from None +288 +289 def odr_chisquare_compact_x(d): +290 model = func(d[:n_parms], d[n_parms:n_parms + m].reshape(x_shape)) +291 chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((d[n_parms + m:].reshape(x_shape) - d[n_parms:n_parms + m].reshape(x_shape)) / dx_f) ** 2) +292 return chisq +293 +294 jac_jac_x = hessian(odr_chisquare_compact_x)(np.concatenate((fitp, out.xplus.ravel(), x_f.ravel()))) +295 +296 # Compute hess^{-1} @ jac_jac_x[:n_parms + m, n_parms + m:] using LAPACK dgesv +297 try: +298 deriv_x = -scipy.linalg.solve(hess, jac_jac_x[:n_parms + m, n_parms + m:]) +299 except np.linalg.LinAlgError: +300 raise Exception("Cannot invert hessian matrix.") +301 +302 def odr_chisquare_compact_y(d): +303 model = func(d[:n_parms], d[n_parms:n_parms + m].reshape(x_shape)) +304 chisq = anp.sum(((d[n_parms + m:] - model) / dy_f) ** 2) + anp.sum(((x_f - d[n_parms:n_parms + m].reshape(x_shape)) / dx_f) ** 2) +305 return chisq 306 -307 output.odr_chisquare = odr_chisquare(np.concatenate((out.beta, out.xplus.ravel()))) -308 output.dof = x.shape[-1] - n_parms -309 output.p_value = 1 - scipy.stats.chi2.cdf(output.odr_chisquare, output.dof) -310 -311 return output -312 -313 -314def _prior_fit(x, y, func, priors, silent=False, **kwargs): -315 output = Fit_result() -316 -317 output.fit_function = func +307 jac_jac_y = hessian(odr_chisquare_compact_y)(np.concatenate((fitp, out.xplus.ravel(), y_f))) +308 +309 # Compute hess^{-1} @ jac_jac_y[:n_parms + m, n_parms + m:] using LAPACK dgesv +310 try: +311 deriv_y = -scipy.linalg.solve(hess, jac_jac_y[:n_parms + m, n_parms + m:]) +312 except np.linalg.LinAlgError: +313 raise Exception("Cannot invert hessian matrix.") +314 +315 result = [] +316 for i in range(n_parms): +317 result.append(derived_observable(lambda my_var, **kwargs: (my_var[0] + np.finfo(np.float64).eps) / (x.ravel()[0].value + np.finfo(np.float64).eps) * out.beta[i], list(x.ravel()) + list(y), man_grad=list(deriv_x[i]) + list(deriv_y[i]))) 318 -319 x = np.asarray(x) +319 output.fit_parameters = result 320 -321 if not callable(func): -322 raise TypeError('func has to be a function.') -323 -324 for i in range(100): -325 try: -326 func(np.arange(i), 0) -327 except TypeError: -328 continue -329 except IndexError: -330 continue -331 else: -332 break -333 else: -334 raise RuntimeError("Fit function is not valid.") -335 -336 n_parms = i -337 -338 if n_parms != len(priors): -339 raise Exception('Priors does not have the correct length.') -340 -341 def extract_val_and_dval(string): -342 split_string = string.split('(') -343 if '.' in split_string[0] and '.' not in split_string[1][:-1]: -344 factor = 10 ** -len(split_string[0].partition('.')[2]) -345 else: -346 factor = 1 -347 return float(split_string[0]), float(split_string[1][:-1]) * factor -348 -349 loc_priors = [] -350 for i_n, i_prior in enumerate(priors): -351 if isinstance(i_prior, Obs): -352 loc_priors.append(i_prior) -353 else: -354 loc_val, loc_dval = extract_val_and_dval(i_prior) -355 loc_priors.append(cov_Obs(loc_val, loc_dval ** 2, '#prior' + str(i_n) + f"_{np.random.randint(2147483647):010d}")) +321 output.odr_chisquare = odr_chisquare(np.concatenate((out.beta, out.xplus.ravel()))) +322 output.dof = x.shape[-1] - n_parms +323 output.p_value = 1 - scipy.stats.chi2.cdf(output.odr_chisquare, output.dof) +324 +325 return output +326 +327 +328def _prior_fit(x, y, func, priors, silent=False, **kwargs): +329 output = Fit_result() +330 +331 output.fit_function = func +332 +333 x = np.asarray(x) +334 +335 if kwargs.get('num_grad') is True: +336 hessian = num_hessian +337 else: +338 hessian = auto_hessian +339 +340 if not callable(func): +341 raise TypeError('func has to be a function.') +342 +343 for i in range(100): +344 try: +345 func(np.arange(i), 0) +346 except TypeError: +347 continue +348 except IndexError: +349 continue +350 else: +351 break +352 else: +353 raise RuntimeError("Fit function is not valid.") +354 +355 n_parms = i 356 -357 output.priors = loc_priors -358 -359 if not silent: -360 print('Fit with', n_parms, 'parameter' + 's' * (n_parms > 1)) -361 -362 y_f = [o.value for o in y] -363 dy_f = [o.dvalue for o in y] -364 -365 if np.any(np.asarray(dy_f) <= 0.0): -366 raise Exception('No y errors available, run the gamma method first.') +357 if n_parms != len(priors): +358 raise Exception('Priors does not have the correct length.') +359 +360 def extract_val_and_dval(string): +361 split_string = string.split('(') +362 if '.' in split_string[0] and '.' not in split_string[1][:-1]: +363 factor = 10 ** -len(split_string[0].partition('.')[2]) +364 else: +365 factor = 1 +366 return float(split_string[0]), float(split_string[1][:-1]) * factor 367 -368 p_f = [o.value for o in loc_priors] -369 dp_f = [o.dvalue for o in loc_priors] -370 -371 if np.any(np.asarray(dp_f) <= 0.0): -372 raise Exception('No prior errors available, run the gamma method first.') -373 -374 if 'initial_guess' in kwargs: -375 x0 = kwargs.get('initial_guess') -376 if len(x0) != n_parms: -377 raise Exception('Initial guess does not have the correct length.') -378 else: -379 x0 = p_f +368 loc_priors = [] +369 for i_n, i_prior in enumerate(priors): +370 if isinstance(i_prior, Obs): +371 loc_priors.append(i_prior) +372 else: +373 loc_val, loc_dval = extract_val_and_dval(i_prior) +374 loc_priors.append(cov_Obs(loc_val, loc_dval ** 2, '#prior' + str(i_n) + f"_{np.random.randint(2147483647):010d}")) +375 +376 output.priors = loc_priors +377 +378 if not silent: +379 print('Fit with', n_parms, 'parameter' + 's' * (n_parms > 1)) 380 -381 def chisqfunc(p): -382 model = func(p, x) -383 chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((p_f - p) / dp_f) ** 2) -384 return chisq -385 -386 if not silent: -387 print('Method: migrad') -388 -389 m = iminuit.Minuit(chisqfunc, x0) -390 m.errordef = 1 -391 m.print_level = 0 -392 if 'tol' in kwargs: -393 m.tol = kwargs.get('tol') -394 else: -395 m.tol = 1e-4 -396 m.migrad() -397 params = np.asarray(m.values) -398 -399 output.chisquare_by_dof = m.fval / len(x) -400 -401 output.method = 'migrad' -402 -403 if not silent: -404 print('chisquare/d.o.f.:', output.chisquare_by_dof) -405 -406 if not m.fmin.is_valid: -407 raise Exception('The minimization procedure did not converge.') -408 -409 hess_inv = np.linalg.pinv(jacobian(jacobian(chisqfunc))(params)) -410 -411 def chisqfunc_compact(d): -412 model = func(d[:n_parms], x) -413 chisq = anp.sum(((d[n_parms: n_parms + len(x)] - model) / dy_f) ** 2) + anp.sum(((d[n_parms + len(x):] - d[:n_parms]) / dp_f) ** 2) -414 return chisq -415 -416 jac_jac = jacobian(jacobian(chisqfunc_compact))(np.concatenate((params, y_f, p_f))) +381 y_f = [o.value for o in y] +382 dy_f = [o.dvalue for o in y] +383 +384 if np.any(np.asarray(dy_f) <= 0.0): +385 raise Exception('No y errors available, run the gamma method first.') +386 +387 p_f = [o.value for o in loc_priors] +388 dp_f = [o.dvalue for o in loc_priors] +389 +390 if np.any(np.asarray(dp_f) <= 0.0): +391 raise Exception('No prior errors available, run the gamma method first.') +392 +393 if 'initial_guess' in kwargs: +394 x0 = kwargs.get('initial_guess') +395 if len(x0) != n_parms: +396 raise Exception('Initial guess does not have the correct length.') +397 else: +398 x0 = p_f +399 +400 def chisqfunc(p): +401 model = func(p, x) +402 chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((p_f - p) / dp_f) ** 2) +403 return chisq +404 +405 if not silent: +406 print('Method: migrad') +407 +408 m = iminuit.Minuit(chisqfunc, x0) +409 m.errordef = 1 +410 m.print_level = 0 +411 if 'tol' in kwargs: +412 m.tol = kwargs.get('tol') +413 else: +414 m.tol = 1e-4 +415 m.migrad() +416 params = np.asarray(m.values) 417 -418 deriv = -hess_inv @ jac_jac[:n_parms, n_parms:] +418 output.chisquare_by_dof = m.fval / len(x) 419 -420 result = [] -421 for i in range(n_parms): -422 result.append(derived_observable(lambda x, **kwargs: (x[0] + np.finfo(np.float64).eps) / (y[0].value + np.finfo(np.float64).eps) * params[i], list(y) + list(loc_priors), man_grad=list(deriv[i]))) -423 -424 output.fit_parameters = result -425 output.chisquare = chisqfunc(np.asarray(params)) -426 -427 if kwargs.get('resplot') is True: -428 residual_plot(x, y, func, result) -429 -430 if kwargs.get('qqplot') is True: -431 qqplot(x, y, func, result) -432 -433 return output -434 +420 output.method = 'migrad' +421 +422 if not silent: +423 print('chisquare/d.o.f.:', output.chisquare_by_dof) +424 +425 if not m.fmin.is_valid: +426 raise Exception('The minimization procedure did not converge.') +427 +428 hess = hessian(chisqfunc)(params) +429 hess_inv = np.linalg.pinv(hess) +430 +431 def chisqfunc_compact(d): +432 model = func(d[:n_parms], x) +433 chisq = anp.sum(((d[n_parms: n_parms + len(x)] - model) / dy_f) ** 2) + anp.sum(((d[n_parms + len(x):] - d[:n_parms]) / dp_f) ** 2) +434 return chisq 435 -436def _standard_fit(x, y, func, silent=False, **kwargs): +436 jac_jac = hessian(chisqfunc_compact)(np.concatenate((params, y_f, p_f))) 437 -438 output = Fit_result() +438 deriv = -hess_inv @ jac_jac[:n_parms, n_parms:] 439 -440 output.fit_function = func -441 -442 x = np.asarray(x) +440 result = [] +441 for i in range(n_parms): +442 result.append(derived_observable(lambda x, **kwargs: (x[0] + np.finfo(np.float64).eps) / (y[0].value + np.finfo(np.float64).eps) * params[i], list(y) + list(loc_priors), man_grad=list(deriv[i]))) 443 -444 if x.shape[-1] != len(y): -445 raise Exception('x and y input have to have the same length') +444 output.fit_parameters = result +445 output.chisquare = chisqfunc(np.asarray(params)) 446 -447 if len(x.shape) > 2: -448 raise Exception('Unknown format for x values') +447 if kwargs.get('resplot') is True: +448 residual_plot(x, y, func, result) 449 -450 if not callable(func): -451 raise TypeError('func has to be a function.') +450 if kwargs.get('qqplot') is True: +451 qqplot(x, y, func, result) 452 -453 for i in range(42): -454 try: -455 func(np.arange(i), x.T[0]) -456 except TypeError: -457 continue -458 except IndexError: -459 continue -460 else: -461 break -462 else: -463 raise RuntimeError("Fit function is not valid.") -464 -465 n_parms = i -466 -467 if not silent: -468 print('Fit with', n_parms, 'parameter' + 's' * (n_parms > 1)) -469 -470 y_f = [o.value for o in y] -471 dy_f = [o.dvalue for o in y] -472 -473 if np.any(np.asarray(dy_f) <= 0.0): -474 raise Exception('No y errors available, run the gamma method first.') -475 -476 if 'initial_guess' in kwargs: -477 x0 = kwargs.get('initial_guess') -478 if len(x0) != n_parms: -479 raise Exception('Initial guess does not have the correct length: %d vs. %d' % (len(x0), n_parms)) -480 else: -481 x0 = [0.1] * n_parms -482 -483 if kwargs.get('correlated_fit') is True: -484 corr = covariance(y, correlation=True, **kwargs) -485 covdiag = np.diag(1 / np.asarray(dy_f)) -486 condn = np.linalg.cond(corr) -487 if condn > 0.1 / np.finfo(float).eps: -488 raise Exception(f"Cannot invert correlation matrix as its condition number exceeds machine precision ({condn:1.2e})") -489 if condn > 1e13: -490 warnings.warn("Correlation matrix may be ill-conditioned, condition number: {%1.2e}" % (condn), RuntimeWarning) -491 chol = np.linalg.cholesky(corr) -492 chol_inv = scipy.linalg.solve_triangular(chol, covdiag, lower=True) +453 return output +454 +455 +456def _standard_fit(x, y, func, silent=False, **kwargs): +457 +458 output = Fit_result() +459 +460 output.fit_function = func +461 +462 x = np.asarray(x) +463 +464 if kwargs.get('num_grad') is True: +465 jacobian = num_jacobian +466 hessian = num_hessian +467 else: +468 jacobian = auto_jacobian +469 hessian = auto_hessian +470 +471 if x.shape[-1] != len(y): +472 raise Exception('x and y input have to have the same length') +473 +474 if len(x.shape) > 2: +475 raise Exception('Unknown format for x values') +476 +477 if not callable(func): +478 raise TypeError('func has to be a function.') +479 +480 for i in range(42): +481 try: +482 func(np.arange(i), x.T[0]) +483 except TypeError: +484 continue +485 except IndexError: +486 continue +487 else: +488 break +489 else: +490 raise RuntimeError("Fit function is not valid.") +491 +492 n_parms = i 493 -494 def chisqfunc_corr(p): -495 model = func(p, x) -496 chisq = anp.sum(anp.dot(chol_inv, (y_f - model)) ** 2) -497 return chisq -498 -499 def chisqfunc(p): -500 model = func(p, x) -501 chisq = anp.sum(((y_f - model) / dy_f) ** 2) -502 return chisq -503 -504 output.method = kwargs.get('method', 'Levenberg-Marquardt') -505 if not silent: -506 print('Method:', output.method) -507 -508 if output.method != 'Levenberg-Marquardt': -509 if output.method == 'migrad': -510 fit_result = iminuit.minimize(chisqfunc, x0, tol=1e-4) # Stopping criterion 0.002 * tol * errordef -511 if kwargs.get('correlated_fit') is True: -512 fit_result = iminuit.minimize(chisqfunc_corr, fit_result.x, tol=1e-4) # Stopping criterion 0.002 * tol * errordef -513 output.iterations = fit_result.nfev -514 else: -515 fit_result = scipy.optimize.minimize(chisqfunc, x0, method=kwargs.get('method'), tol=1e-12) -516 if kwargs.get('correlated_fit') is True: -517 fit_result = scipy.optimize.minimize(chisqfunc_corr, fit_result.x, method=kwargs.get('method'), tol=1e-12) -518 output.iterations = fit_result.nit -519 -520 chisquare = fit_result.fun -521 -522 else: -523 if kwargs.get('correlated_fit') is True: -524 def chisqfunc_residuals_corr(p): -525 model = func(p, x) -526 chisq = anp.dot(chol_inv, (y_f - model)) -527 return chisq -528 -529 def chisqfunc_residuals(p): -530 model = func(p, x) -531 chisq = ((y_f - model) / dy_f) -532 return chisq -533 -534 fit_result = scipy.optimize.least_squares(chisqfunc_residuals, x0, method='lm', ftol=1e-15, gtol=1e-15, xtol=1e-15) -535 if kwargs.get('correlated_fit') is True: -536 fit_result = scipy.optimize.least_squares(chisqfunc_residuals_corr, fit_result.x, method='lm', ftol=1e-15, gtol=1e-15, xtol=1e-15) -537 -538 chisquare = np.sum(fit_result.fun ** 2) -539 if kwargs.get('correlated_fit') is True: -540 assert np.isclose(chisquare, chisqfunc_corr(fit_result.x), atol=1e-14) +494 if not silent: +495 print('Fit with', n_parms, 'parameter' + 's' * (n_parms > 1)) +496 +497 y_f = [o.value for o in y] +498 dy_f = [o.dvalue for o in y] +499 +500 if np.any(np.asarray(dy_f) <= 0.0): +501 raise Exception('No y errors available, run the gamma method first.') +502 +503 if 'initial_guess' in kwargs: +504 x0 = kwargs.get('initial_guess') +505 if len(x0) != n_parms: +506 raise Exception('Initial guess does not have the correct length: %d vs. %d' % (len(x0), n_parms)) +507 else: +508 x0 = [0.1] * n_parms +509 +510 if kwargs.get('correlated_fit') is True: +511 corr = covariance(y, correlation=True, **kwargs) +512 covdiag = np.diag(1 / np.asarray(dy_f)) +513 condn = np.linalg.cond(corr) +514 if condn > 0.1 / np.finfo(float).eps: +515 raise Exception(f"Cannot invert correlation matrix as its condition number exceeds machine precision ({condn:1.2e})") +516 if condn > 1e13: +517 warnings.warn("Correlation matrix may be ill-conditioned, condition number: {%1.2e}" % (condn), RuntimeWarning) +518 chol = np.linalg.cholesky(corr) +519 chol_inv = scipy.linalg.solve_triangular(chol, covdiag, lower=True) +520 +521 def chisqfunc_corr(p): +522 model = func(p, x) +523 chisq = anp.sum(anp.dot(chol_inv, (y_f - model)) ** 2) +524 return chisq +525 +526 def chisqfunc(p): +527 model = func(p, x) +528 chisq = anp.sum(((y_f - model) / dy_f) ** 2) +529 return chisq +530 +531 output.method = kwargs.get('method', 'Levenberg-Marquardt') +532 if not silent: +533 print('Method:', output.method) +534 +535 if output.method != 'Levenberg-Marquardt': +536 if output.method == 'migrad': +537 fit_result = iminuit.minimize(chisqfunc, x0, tol=1e-4) # Stopping criterion 0.002 * tol * errordef +538 if kwargs.get('correlated_fit') is True: +539 fit_result = iminuit.minimize(chisqfunc_corr, fit_result.x, tol=1e-4) # Stopping criterion 0.002 * tol * errordef +540 output.iterations = fit_result.nfev 541 else: -542 assert np.isclose(chisquare, chisqfunc(fit_result.x), atol=1e-14) -543 -544 output.iterations = fit_result.nfev -545 -546 if not fit_result.success: -547 raise Exception('The minimization procedure did not converge.') +542 fit_result = scipy.optimize.minimize(chisqfunc, x0, method=kwargs.get('method'), tol=1e-12) +543 if kwargs.get('correlated_fit') is True: +544 fit_result = scipy.optimize.minimize(chisqfunc_corr, fit_result.x, method=kwargs.get('method'), tol=1e-12) +545 output.iterations = fit_result.nit +546 +547 chisquare = fit_result.fun 548 -549 if x.shape[-1] - n_parms > 0: -550 output.chisquare_by_dof = chisquare / (x.shape[-1] - n_parms) -551 else: -552 output.chisquare_by_dof = float('nan') -553 -554 output.message = fit_result.message -555 if not silent: -556 print(fit_result.message) -557 print('chisquare/d.o.f.:', output.chisquare_by_dof) -558 -559 if kwargs.get('expected_chisquare') is True: -560 if kwargs.get('correlated_fit') is not True: -561 W = np.diag(1 / np.asarray(dy_f)) -562 cov = covariance(y) -563 A = W @ jacobian(func)(fit_result.x, x) -564 P_phi = A @ np.linalg.pinv(A.T @ A) @ A.T -565 expected_chisquare = np.trace((np.identity(x.shape[-1]) - P_phi) @ W @ cov @ W) -566 output.chisquare_by_expected_chisquare = chisquare / expected_chisquare -567 if not silent: -568 print('chisquare/expected_chisquare:', -569 output.chisquare_by_expected_chisquare) +549 else: +550 if kwargs.get('correlated_fit') is True: +551 def chisqfunc_residuals_corr(p): +552 model = func(p, x) +553 chisq = anp.dot(chol_inv, (y_f - model)) +554 return chisq +555 +556 def chisqfunc_residuals(p): +557 model = func(p, x) +558 chisq = ((y_f - model) / dy_f) +559 return chisq +560 +561 fit_result = scipy.optimize.least_squares(chisqfunc_residuals, x0, method='lm', ftol=1e-15, gtol=1e-15, xtol=1e-15) +562 if kwargs.get('correlated_fit') is True: +563 fit_result = scipy.optimize.least_squares(chisqfunc_residuals_corr, fit_result.x, method='lm', ftol=1e-15, gtol=1e-15, xtol=1e-15) +564 +565 chisquare = np.sum(fit_result.fun ** 2) +566 if kwargs.get('correlated_fit') is True: +567 assert np.isclose(chisquare, chisqfunc_corr(fit_result.x), atol=1e-14) +568 else: +569 assert np.isclose(chisquare, chisqfunc(fit_result.x), atol=1e-14) 570 -571 fitp = fit_result.x -572 try: -573 if kwargs.get('correlated_fit') is True: -574 hess = jacobian(jacobian(chisqfunc_corr))(fitp) -575 else: -576 hess = jacobian(jacobian(chisqfunc))(fitp) -577 except TypeError: -578 raise Exception("It is required to use autograd.numpy instead of numpy within fit functions, see the documentation for details.") from None -579 -580 if kwargs.get('correlated_fit') is True: -581 def chisqfunc_compact(d): -582 model = func(d[:n_parms], x) -583 chisq = anp.sum(anp.dot(chol_inv, (d[n_parms:] - model)) ** 2) -584 return chisq +571 output.iterations = fit_result.nfev +572 +573 if not fit_result.success: +574 raise Exception('The minimization procedure did not converge.') +575 +576 if x.shape[-1] - n_parms > 0: +577 output.chisquare_by_dof = chisquare / (x.shape[-1] - n_parms) +578 else: +579 output.chisquare_by_dof = float('nan') +580 +581 output.message = fit_result.message +582 if not silent: +583 print(fit_result.message) +584 print('chisquare/d.o.f.:', output.chisquare_by_dof) 585 -586 else: -587 def chisqfunc_compact(d): -588 model = func(d[:n_parms], x) -589 chisq = anp.sum(((d[n_parms:] - model) / dy_f) ** 2) -590 return chisq -591 -592 jac_jac = jacobian(jacobian(chisqfunc_compact))(np.concatenate((fitp, y_f))) -593 -594 # Compute hess^{-1} @ jac_jac[:n_parms, n_parms:] using LAPACK dgesv -595 try: -596 deriv = -scipy.linalg.solve(hess, jac_jac[:n_parms, n_parms:]) -597 except np.linalg.LinAlgError: -598 raise Exception("Cannot invert hessian matrix.") -599 -600 result = [] -601 for i in range(n_parms): -602 result.append(derived_observable(lambda x, **kwargs: (x[0] + np.finfo(np.float64).eps) / (y[0].value + np.finfo(np.float64).eps) * fit_result.x[i], list(y), man_grad=list(deriv[i]))) -603 -604 output.fit_parameters = result -605 -606 output.chisquare = chisquare -607 output.dof = x.shape[-1] - n_parms -608 output.p_value = 1 - scipy.stats.chi2.cdf(output.chisquare, output.dof) -609 -610 if kwargs.get('resplot') is True: -611 residual_plot(x, y, func, result) +586 if kwargs.get('expected_chisquare') is True: +587 if kwargs.get('correlated_fit') is not True: +588 W = np.diag(1 / np.asarray(dy_f)) +589 cov = covariance(y) +590 A = W @ jacobian(func)(fit_result.x, x) +591 P_phi = A @ np.linalg.pinv(A.T @ A) @ A.T +592 expected_chisquare = np.trace((np.identity(x.shape[-1]) - P_phi) @ W @ cov @ W) +593 output.chisquare_by_expected_chisquare = chisquare / expected_chisquare +594 if not silent: +595 print('chisquare/expected_chisquare:', +596 output.chisquare_by_expected_chisquare) +597 +598 fitp = fit_result.x +599 try: +600 if kwargs.get('correlated_fit') is True: +601 hess = hessian(chisqfunc_corr)(fitp) +602 else: +603 hess = hessian(chisqfunc)(fitp) +604 except TypeError: +605 raise Exception("It is required to use autograd.numpy instead of numpy within fit functions, see the documentation for details.") from None +606 +607 if kwargs.get('correlated_fit') is True: +608 def chisqfunc_compact(d): +609 model = func(d[:n_parms], x) +610 chisq = anp.sum(anp.dot(chol_inv, (d[n_parms:] - model)) ** 2) +611 return chisq 612 -613 if kwargs.get('qqplot') is True: -614 qqplot(x, y, func, result) -615 -616 return output -617 +613 else: +614 def chisqfunc_compact(d): +615 model = func(d[:n_parms], x) +616 chisq = anp.sum(((d[n_parms:] - model) / dy_f) ** 2) +617 return chisq 618 -619def fit_lin(x, y, **kwargs): -620 """Performs a linear fit to y = n + m * x and returns two Obs n, m. -621 -622 Parameters -623 ---------- -624 x : list -625 Can either be a list of floats in which case no xerror is assumed, or -626 a list of Obs, where the dvalues of the Obs are used as xerror for the fit. -627 y : list -628 List of Obs, the dvalues of the Obs are used as yerror for the fit. -629 """ +619 jac_jac = hessian(chisqfunc_compact)(np.concatenate((fitp, y_f))) +620 +621 # Compute hess^{-1} @ jac_jac[:n_parms, n_parms:] using LAPACK dgesv +622 try: +623 deriv = -scipy.linalg.solve(hess, jac_jac[:n_parms, n_parms:]) +624 except np.linalg.LinAlgError: +625 raise Exception("Cannot invert hessian matrix.") +626 +627 result = [] +628 for i in range(n_parms): +629 result.append(derived_observable(lambda x, **kwargs: (x[0] + np.finfo(np.float64).eps) / (y[0].value + np.finfo(np.float64).eps) * fit_result.x[i], list(y), man_grad=list(deriv[i]))) 630 -631 def f(a, x): -632 y = a[0] + a[1] * x -633 return y -634 -635 if all(isinstance(n, Obs) for n in x): -636 out = total_least_squares(x, y, f, **kwargs) -637 return out.fit_parameters -638 elif all(isinstance(n, float) or isinstance(n, int) for n in x) or isinstance(x, np.ndarray): -639 out = least_squares(x, y, f, **kwargs) -640 return out.fit_parameters -641 else: -642 raise Exception('Unsupported types for x') -643 +631 output.fit_parameters = result +632 +633 output.chisquare = chisquare +634 output.dof = x.shape[-1] - n_parms +635 output.p_value = 1 - scipy.stats.chi2.cdf(output.chisquare, output.dof) +636 +637 if kwargs.get('resplot') is True: +638 residual_plot(x, y, func, result) +639 +640 if kwargs.get('qqplot') is True: +641 qqplot(x, y, func, result) +642 +643 return output 644 -645def qqplot(x, o_y, func, p): -646 """Generates a quantile-quantile plot of the fit result which can be used to -647 check if the residuals of the fit are gaussian distributed. -648 """ -649 -650 residuals = [] -651 for i_x, i_y in zip(x, o_y): -652 residuals.append((i_y - func(p, i_x)) / i_y.dvalue) -653 residuals = sorted(residuals) -654 my_y = [o.value for o in residuals] -655 probplot = scipy.stats.probplot(my_y) -656 my_x = probplot[0][0] -657 plt.figure(figsize=(8, 8 / 1.618)) -658 plt.errorbar(my_x, my_y, fmt='o') -659 fit_start = my_x[0] -660 fit_stop = my_x[-1] -661 samples = np.arange(fit_start, fit_stop, 0.01) -662 plt.plot(samples, samples, 'k--', zorder=11, label='Standard normal distribution') -663 plt.plot(samples, probplot[1][0] * samples + probplot[1][1], zorder=10, label='Least squares fit, r=' + str(np.around(probplot[1][2], 3)), marker='', ls='-') -664 -665 plt.xlabel('Theoretical quantiles') -666 plt.ylabel('Ordered Values') -667 plt.legend() -668 plt.draw() -669 +645 +646def fit_lin(x, y, **kwargs): +647 """Performs a linear fit to y = n + m * x and returns two Obs n, m. +648 +649 Parameters +650 ---------- +651 x : list +652 Can either be a list of floats in which case no xerror is assumed, or +653 a list of Obs, where the dvalues of the Obs are used as xerror for the fit. +654 y : list +655 List of Obs, the dvalues of the Obs are used as yerror for the fit. +656 """ +657 +658 def f(a, x): +659 y = a[0] + a[1] * x +660 return y +661 +662 if all(isinstance(n, Obs) for n in x): +663 out = total_least_squares(x, y, f, **kwargs) +664 return out.fit_parameters +665 elif all(isinstance(n, float) or isinstance(n, int) for n in x) or isinstance(x, np.ndarray): +666 out = least_squares(x, y, f, **kwargs) +667 return out.fit_parameters +668 else: +669 raise Exception('Unsupported types for x') 670 -671def residual_plot(x, y, func, fit_res): -672 """ Generates a plot which compares the fit to the data and displays the corresponding residuals""" -673 sorted_x = sorted(x) -674 xstart = sorted_x[0] - 0.5 * (sorted_x[1] - sorted_x[0]) -675 xstop = sorted_x[-1] + 0.5 * (sorted_x[-1] - sorted_x[-2]) -676 x_samples = np.arange(xstart, xstop + 0.01, 0.01) -677 -678 plt.figure(figsize=(8, 8 / 1.618)) -679 gs = gridspec.GridSpec(2, 1, height_ratios=[3, 1], wspace=0.0, hspace=0.0) -680 ax0 = plt.subplot(gs[0]) -681 ax0.errorbar(x, [o.value for o in y], yerr=[o.dvalue for o in y], ls='none', fmt='o', capsize=3, markersize=5, label='Data') -682 ax0.plot(x_samples, func([o.value for o in fit_res], x_samples), label='Fit', zorder=10, ls='-', ms=0) -683 ax0.set_xticklabels([]) -684 ax0.set_xlim([xstart, xstop]) -685 ax0.set_xticklabels([]) -686 ax0.legend() -687 -688 residuals = (np.asarray([o.value for o in y]) - func([o.value for o in fit_res], x)) / np.asarray([o.dvalue for o in y]) -689 ax1 = plt.subplot(gs[1]) -690 ax1.plot(x, residuals, 'ko', ls='none', markersize=5) -691 ax1.tick_params(direction='out') -692 ax1.tick_params(axis="x", bottom=True, top=True, labelbottom=True) -693 ax1.axhline(y=0.0, ls='--', color='k', marker=" ") -694 ax1.fill_between(x_samples, -1.0, 1.0, alpha=0.1, facecolor='k') -695 ax1.set_xlim([xstart, xstop]) -696 ax1.set_ylabel('Residuals') -697 plt.subplots_adjust(wspace=None, hspace=None) -698 plt.draw() -699 -700 -701def error_band(x, func, beta): -702 """Returns the error band for an array of sample values x, for given fit function func with optimized parameters beta.""" -703 cov = covariance(beta) -704 if np.any(np.abs(cov - cov.T) > 1000 * np.finfo(np.float64).eps): -705 warnings.warn("Covariance matrix is not symmetric within floating point precision", RuntimeWarning) -706 -707 deriv = [] -708 for i, item in enumerate(x): -709 deriv.append(np.array(egrad(func)([o.value for o in beta], item))) -710 -711 err = [] -712 for i, item in enumerate(x): -713 err.append(np.sqrt(deriv[i] @ cov @ deriv[i])) -714 err = np.array(err) -715 -716 return err -717 -718 -719def ks_test(objects=None): -720 """Performs a Kolmogorov–Smirnov test for the p-values of all fit object. -721 -722 Parameters -723 ---------- -724 objects : list -725 List of fit results to include in the analysis (optional). -726 """ +671 +672def qqplot(x, o_y, func, p): +673 """Generates a quantile-quantile plot of the fit result which can be used to +674 check if the residuals of the fit are gaussian distributed. +675 """ +676 +677 residuals = [] +678 for i_x, i_y in zip(x, o_y): +679 residuals.append((i_y - func(p, i_x)) / i_y.dvalue) +680 residuals = sorted(residuals) +681 my_y = [o.value for o in residuals] +682 probplot = scipy.stats.probplot(my_y) +683 my_x = probplot[0][0] +684 plt.figure(figsize=(8, 8 / 1.618)) +685 plt.errorbar(my_x, my_y, fmt='o') +686 fit_start = my_x[0] +687 fit_stop = my_x[-1] +688 samples = np.arange(fit_start, fit_stop, 0.01) +689 plt.plot(samples, samples, 'k--', zorder=11, label='Standard normal distribution') +690 plt.plot(samples, probplot[1][0] * samples + probplot[1][1], zorder=10, label='Least squares fit, r=' + str(np.around(probplot[1][2], 3)), marker='', ls='-') +691 +692 plt.xlabel('Theoretical quantiles') +693 plt.ylabel('Ordered Values') +694 plt.legend() +695 plt.draw() +696 +697 +698def residual_plot(x, y, func, fit_res): +699 """ Generates a plot which compares the fit to the data and displays the corresponding residuals""" +700 sorted_x = sorted(x) +701 xstart = sorted_x[0] - 0.5 * (sorted_x[1] - sorted_x[0]) +702 xstop = sorted_x[-1] + 0.5 * (sorted_x[-1] - sorted_x[-2]) +703 x_samples = np.arange(xstart, xstop + 0.01, 0.01) +704 +705 plt.figure(figsize=(8, 8 / 1.618)) +706 gs = gridspec.GridSpec(2, 1, height_ratios=[3, 1], wspace=0.0, hspace=0.0) +707 ax0 = plt.subplot(gs[0]) +708 ax0.errorbar(x, [o.value for o in y], yerr=[o.dvalue for o in y], ls='none', fmt='o', capsize=3, markersize=5, label='Data') +709 ax0.plot(x_samples, func([o.value for o in fit_res], x_samples), label='Fit', zorder=10, ls='-', ms=0) +710 ax0.set_xticklabels([]) +711 ax0.set_xlim([xstart, xstop]) +712 ax0.set_xticklabels([]) +713 ax0.legend() +714 +715 residuals = (np.asarray([o.value for o in y]) - func([o.value for o in fit_res], x)) / np.asarray([o.dvalue for o in y]) +716 ax1 = plt.subplot(gs[1]) +717 ax1.plot(x, residuals, 'ko', ls='none', markersize=5) +718 ax1.tick_params(direction='out') +719 ax1.tick_params(axis="x", bottom=True, top=True, labelbottom=True) +720 ax1.axhline(y=0.0, ls='--', color='k', marker=" ") +721 ax1.fill_between(x_samples, -1.0, 1.0, alpha=0.1, facecolor='k') +722 ax1.set_xlim([xstart, xstop]) +723 ax1.set_ylabel('Residuals') +724 plt.subplots_adjust(wspace=None, hspace=None) +725 plt.draw() +726 727 -728 if objects is None: -729 obs_list = [] -730 for obj in gc.get_objects(): -731 if isinstance(obj, Fit_result): -732 obs_list.append(obj) -733 else: -734 obs_list = objects -735 -736 p_values = [o.p_value for o in obs_list] +728def error_band(x, func, beta): +729 """Returns the error band for an array of sample values x, for given fit function func with optimized parameters beta.""" +730 cov = covariance(beta) +731 if np.any(np.abs(cov - cov.T) > 1000 * np.finfo(np.float64).eps): +732 warnings.warn("Covariance matrix is not symmetric within floating point precision", RuntimeWarning) +733 +734 deriv = [] +735 for i, item in enumerate(x): +736 deriv.append(np.array(egrad(func)([o.value for o in beta], item))) 737 -738 bins = len(p_values) -739 x = np.arange(0, 1.001, 0.001) -740 plt.plot(x, x, 'k', zorder=1) -741 plt.xlim(0, 1) -742 plt.ylim(0, 1) -743 plt.xlabel('p-value') -744 plt.ylabel('Cumulative probability') -745 plt.title(str(bins) + ' p-values') -746 -747 n = np.arange(1, bins + 1) / np.float64(bins) -748 Xs = np.sort(p_values) -749 plt.step(Xs, n) -750 diffs = n - Xs -751 loc_max_diff = np.argmax(np.abs(diffs)) -752 loc = Xs[loc_max_diff] -753 plt.annotate('', xy=(loc, loc), xytext=(loc, loc + diffs[loc_max_diff]), arrowprops=dict(arrowstyle='<->', shrinkA=0, shrinkB=0)) -754 plt.draw() -755 -756 print(scipy.stats.kstest(p_values, 'uniform')) +738 err = [] +739 for i, item in enumerate(x): +740 err.append(np.sqrt(deriv[i] @ cov @ deriv[i])) +741 err = np.array(err) +742 +743 return err +744 +745 +746def ks_test(objects=None): +747 """Performs a Kolmogorov–Smirnov test for the p-values of all fit object. +748 +749 Parameters +750 ---------- +751 objects : list +752 List of fit results to include in the analysis (optional). +753 """ +754 +755 if objects is None: +756 obs_list = [] +757 for obj in gc.get_objects(): +758 if isinstance(obj, Fit_result): +759 obs_list.append(obj) +760 else: +761 obs_list = objects +762 +763 p_values = [o.p_value for o in obs_list] +764 +765 bins = len(p_values) +766 x = np.arange(0, 1.001, 0.001) +767 plt.plot(x, x, 'k', zorder=1) +768 plt.xlim(0, 1) +769 plt.ylim(0, 1) +770 plt.xlabel('p-value') +771 plt.ylabel('Cumulative probability') +772 plt.title(str(bins) + ' p-values') +773 +774 n = np.arange(1, bins + 1) / np.float64(bins) +775 Xs = np.sort(p_values) +776 plt.step(Xs, n) +777 diffs = n - Xs +778 loc_max_diff = np.argmax(np.abs(diffs)) +779 loc = Xs[loc_max_diff] +780 plt.annotate('', xy=(loc, loc), xytext=(loc, loc + diffs[loc_max_diff]), arrowprops=dict(arrowstyle='<->', shrinkA=0, shrinkB=0)) +781 plt.draw() +782 +783 print(scipy.stats.kstest(p_values, 'uniform')) @@ -872,47 +899,47 @@ - 
18class Fit_result(Sequence):
-19    """Represents fit results.
-20
-21    Attributes
-22    ----------
-23    fit_parameters : list
-24        results for the individual fit parameters,
-25        also accessible via indices.
-26    """
-27
-28    def __init__(self):
-29        self.fit_parameters = None
+            
21class Fit_result(Sequence):
+22    """Represents fit results.
+23
+24    Attributes
+25    ----------
+26    fit_parameters : list
+27        results for the individual fit parameters,
+28        also accessible via indices.
+29    """
 30
-31    def __getitem__(self, idx):
-32        return self.fit_parameters[idx]
+31    def __init__(self):
+32        self.fit_parameters = None
 33
-34    def __len__(self):
-35        return len(self.fit_parameters)
+34    def __getitem__(self, idx):
+35        return self.fit_parameters[idx]
 36
-37    def gamma_method(self, **kwargs):
-38        """Apply the gamma method to all fit parameters"""
-39        [o.gamma_method(**kwargs) for o in self.fit_parameters]
-40
-41    def __str__(self):
-42        my_str = 'Goodness of fit:\n'
-43        if hasattr(self, 'chisquare_by_dof'):
-44            my_str += '\u03C7\u00b2/d.o.f. = ' + f'{self.chisquare_by_dof:2.6f}' + '\n'
-45        elif hasattr(self, 'residual_variance'):
-46            my_str += 'residual variance = ' + f'{self.residual_variance:2.6f}' + '\n'
-47        if hasattr(self, 'chisquare_by_expected_chisquare'):
-48            my_str += '\u03C7\u00b2/\u03C7\u00b2exp  = ' + f'{self.chisquare_by_expected_chisquare:2.6f}' + '\n'
-49        if hasattr(self, 'p_value'):
-50            my_str += 'p-value   = ' + f'{self.p_value:2.4f}' + '\n'
-51        my_str += 'Fit parameters:\n'
-52        for i_par, par in enumerate(self.fit_parameters):
-53            my_str += str(i_par) + '\t' + ' ' * int(par >= 0) + str(par).rjust(int(par < 0.0)) + '\n'
-54        return my_str
-55
-56    def __repr__(self):
-57        m = max(map(len, list(self.__dict__.keys()))) + 1
-58        return '\n'.join([key.rjust(m) + ': ' + repr(value) for key, value in sorted(self.__dict__.items())])
+37    def __len__(self):
+38        return len(self.fit_parameters)
+39
+40    def gamma_method(self, **kwargs):
+41        """Apply the gamma method to all fit parameters"""
+42        [o.gamma_method(**kwargs) for o in self.fit_parameters]
+43
+44    def __str__(self):
+45        my_str = 'Goodness of fit:\n'
+46        if hasattr(self, 'chisquare_by_dof'):
+47            my_str += '\u03C7\u00b2/d.o.f. = ' + f'{self.chisquare_by_dof:2.6f}' + '\n'
+48        elif hasattr(self, 'residual_variance'):
+49            my_str += 'residual variance = ' + f'{self.residual_variance:2.6f}' + '\n'
+50        if hasattr(self, 'chisquare_by_expected_chisquare'):
+51            my_str += '\u03C7\u00b2/\u03C7\u00b2exp  = ' + f'{self.chisquare_by_expected_chisquare:2.6f}' + '\n'
+52        if hasattr(self, 'p_value'):
+53            my_str += 'p-value   = ' + f'{self.p_value:2.4f}' + '\n'
+54        my_str += 'Fit parameters:\n'
+55        for i_par, par in enumerate(self.fit_parameters):
+56            my_str += str(i_par) + '\t' + ' ' * int(par >= 0) + str(par).rjust(int(par < 0.0)) + '\n'
+57        return my_str
+58
+59    def __repr__(self):
+60        m = max(map(len, list(self.__dict__.keys()))) + 1
+61        return '\n'.join([key.rjust(m) + ': ' + repr(value) for key, value in sorted(self.__dict__.items())])
 

 
 
@@ -938,8 +965,8 @@ also accessible via indices.
- 
28    def __init__(self):
-29        self.fit_parameters = None
+            
31    def __init__(self):
+32        self.fit_parameters = None
 

 
 
@@ -957,9 +984,9 @@ also accessible via indices.
- 
37    def gamma_method(self, **kwargs):
-38        """Apply the gamma method to all fit parameters"""
-39        [o.gamma_method(**kwargs) for o in self.fit_parameters]
+            
40    def gamma_method(self, **kwargs):
+41        """Apply the gamma method to all fit parameters"""
+42        [o.gamma_method(**kwargs) for o in self.fit_parameters]
 

 
 
@@ -990,68 +1017,70 @@ also accessible via indices.
- 
 61def least_squares(x, y, func, priors=None, silent=False, **kwargs):
- 62    r'''Performs a non-linear fit to y = func(x).
- 63
- 64    Parameters
- 65    ----------
- 66    x : list
- 67        list of floats.
- 68    y : list
- 69        list of Obs.
- 70    func : object
- 71        fit function, has to be of the form
- 72
- 73        ```python
- 74        import autograd.numpy as anp
+            
 64def least_squares(x, y, func, priors=None, silent=False, **kwargs):
+ 65    r'''Performs a non-linear fit to y = func(x).
+ 66
+ 67    Parameters
+ 68    ----------
+ 69    x : list
+ 70        list of floats.
+ 71    y : list
+ 72        list of Obs.
+ 73    func : object
+ 74        fit function, has to be of the form
  75
- 76        def func(a, x):
- 77            return a[0] + a[1] * x + a[2] * anp.sinh(x)
- 78        ```
- 79
- 80        For multiple x values func can be of the form
- 81
- 82        ```python
- 83        def func(a, x):
- 84            (x1, x2) = x
- 85            return a[0] * x1 ** 2 + a[1] * x2
- 86        ```
- 87
- 88        It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation
- 89        will not work.
- 90    priors : list, optional
- 91        priors has to be a list with an entry for every parameter in the fit. The entries can either be
- 92        Obs (e.g. results from a previous fit) or strings containing a value and an error formatted like
- 93        0.548(23), 500(40) or 0.5(0.4)
- 94    silent : bool, optional
- 95        If true all output to the console is omitted (default False).
- 96    initial_guess : list
- 97        can provide an initial guess for the input parameters. Relevant for
- 98        non-linear fits with many parameters. In case of correlated fits the guess is used to perform
- 99        an uncorrelated fit which then serves as guess for the correlated fit.
-100    method : str, optional
-101        can be used to choose an alternative method for the minimization of chisquare.
-102        The possible methods are the ones which can be used for scipy.optimize.minimize and
-103        migrad of iminuit. If no method is specified, Levenberg-Marquard is used.
-104        Reliable alternatives are migrad, Powell and Nelder-Mead.
-105    correlated_fit : bool
-106        If True, use the full inverse covariance matrix in the definition of the chisquare cost function.
-107        For details about how the covariance matrix is estimated see `pyerrors.obs.covariance`.
-108        In practice the correlation matrix is Cholesky decomposed and inverted (instead of the covariance matrix).
-109        This procedure should be numerically more stable as the correlation matrix is typically better conditioned (Jacobi preconditioning).
-110        At the moment this option only works for `prior==None` and when no `method` is given.
-111    expected_chisquare : bool
-112        If True estimates the expected chisquare which is
-113        corrected by effects caused by correlated input data (default False).
-114    resplot : bool
-115        If True, a plot which displays fit, data and residuals is generated (default False).
-116    qqplot : bool
-117        If True, a quantile-quantile plot of the fit result is generated (default False).
-118    '''
-119    if priors is not None:
-120        return _prior_fit(x, y, func, priors, silent=silent, **kwargs)
-121    else:
-122        return _standard_fit(x, y, func, silent=silent, **kwargs)
+ 76        ```python
+ 77        import autograd.numpy as anp
+ 78
+ 79        def func(a, x):
+ 80            return a[0] + a[1] * x + a[2] * anp.sinh(x)
+ 81        ```
+ 82
+ 83        For multiple x values func can be of the form
+ 84
+ 85        ```python
+ 86        def func(a, x):
+ 87            (x1, x2) = x
+ 88            return a[0] * x1 ** 2 + a[1] * x2
+ 89        ```
+ 90
+ 91        It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation
+ 92        will not work.
+ 93    priors : list, optional
+ 94        priors has to be a list with an entry for every parameter in the fit. The entries can either be
+ 95        Obs (e.g. results from a previous fit) or strings containing a value and an error formatted like
+ 96        0.548(23), 500(40) or 0.5(0.4)
+ 97    silent : bool, optional
+ 98        If true all output to the console is omitted (default False).
+ 99    initial_guess : list
+100        can provide an initial guess for the input parameters. Relevant for
+101        non-linear fits with many parameters. In case of correlated fits the guess is used to perform
+102        an uncorrelated fit which then serves as guess for the correlated fit.
+103    method : str, optional
+104        can be used to choose an alternative method for the minimization of chisquare.
+105        The possible methods are the ones which can be used for scipy.optimize.minimize and
+106        migrad of iminuit. If no method is specified, Levenberg-Marquard is used.
+107        Reliable alternatives are migrad, Powell and Nelder-Mead.
+108    correlated_fit : bool
+109        If True, use the full inverse covariance matrix in the definition of the chisquare cost function.
+110        For details about how the covariance matrix is estimated see `pyerrors.obs.covariance`.
+111        In practice the correlation matrix is Cholesky decomposed and inverted (instead of the covariance matrix).
+112        This procedure should be numerically more stable as the correlation matrix is typically better conditioned (Jacobi preconditioning).
+113        At the moment this option only works for `prior==None` and when no `method` is given.
+114    expected_chisquare : bool
+115        If True estimates the expected chisquare which is
+116        corrected by effects caused by correlated input data (default False).
+117    resplot : bool
+118        If True, a plot which displays fit, data and residuals is generated (default False).
+119    qqplot : bool
+120        If True, a quantile-quantile plot of the fit result is generated (default False).
+121    num_grad : bool
+122        Use numerical differentation instead of automatic differentiation to perform the error propagation (default False).
+123    '''
+124    if priors is not None:
+125        return _prior_fit(x, y, func, priors, silent=silent, **kwargs)
+126    else:
+127        return _standard_fit(x, y, func, silent=silent, **kwargs)
 

 
 
@@ -1114,6 +1143,8 @@ corrected by effects caused by correlated input data (default False).
 If True, a plot which displays fit, data and residuals is generated (default False).
 
  • qqplot (bool):
 If True, a quantile-quantile plot of the fit result is generated (default False).
    • 
+
  • num_grad (bool):
+Use numerical differentation instead of automatic differentiation to perform the error propagation (default False).
    •
    @@ -1130,194 +1161,203 @@ If True, a quantile-quantile plot of the fit result is generated (default False) - 
    125def total_least_squares(x, y, func, silent=False, **kwargs):
-126    r'''Performs a non-linear fit to y = func(x) and returns a list of Obs corresponding to the fit parameters.
-127
-128    Parameters
-129    ----------
-130    x : list
-131        list of Obs, or a tuple of lists of Obs
-132    y : list
-133        list of Obs. The dvalues of the Obs are used as x- and yerror for the fit.
-134    func : object
-135        func has to be of the form
-136
-137        ```python
-138        import autograd.numpy as anp
-139
-140        def func(a, x):
-141            return a[0] + a[1] * x + a[2] * anp.sinh(x)
-142        ```
-143
-144        For multiple x values func can be of the form
-145
-146        ```python
-147        def func(a, x):
-148            (x1, x2) = x
-149            return a[0] * x1 ** 2 + a[1] * x2
-150        ```
-151
-152        It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation
-153        will not work.
-154    silent : bool, optional
-155        If true all output to the console is omitted (default False).
-156    initial_guess : list
-157        can provide an initial guess for the input parameters. Relevant for non-linear
-158        fits with many parameters.
-159    expected_chisquare : bool
-160        If true prints the expected chisquare which is
-161        corrected by effects caused by correlated input data.
-162        This can take a while as the full correlation matrix
-163        has to be calculated (default False).
-164
-165    Notes
-166    -----
-167    Based on the orthogonal distance regression module of scipy
-168    '''
-169
-170    output = Fit_result()
+            
    130def total_least_squares(x, y, func, silent=False, **kwargs):
+131    r'''Performs a non-linear fit to y = func(x) and returns a list of Obs corresponding to the fit parameters.
+132
+133    Parameters
+134    ----------
+135    x : list
+136        list of Obs, or a tuple of lists of Obs
+137    y : list
+138        list of Obs. The dvalues of the Obs are used as x- and yerror for the fit.
+139    func : object
+140        func has to be of the form
+141
+142        ```python
+143        import autograd.numpy as anp
+144
+145        def func(a, x):
+146            return a[0] + a[1] * x + a[2] * anp.sinh(x)
+147        ```
+148
+149        For multiple x values func can be of the form
+150
+151        ```python
+152        def func(a, x):
+153            (x1, x2) = x
+154            return a[0] * x1 ** 2 + a[1] * x2
+155        ```
+156
+157        It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation
+158        will not work.
+159    silent : bool, optional
+160        If true all output to the console is omitted (default False).
+161    initial_guess : list
+162        can provide an initial guess for the input parameters. Relevant for non-linear
+163        fits with many parameters.
+164    expected_chisquare : bool
+165        If true prints the expected chisquare which is
+166        corrected by effects caused by correlated input data.
+167        This can take a while as the full correlation matrix
+168        has to be calculated (default False).
+169    num_grad : bool
+170        Use numerical differentation instead of automatic differentiation to perform the error propagation (default False).
 171
-172    output.fit_function = func
-173
-174    x = np.array(x)
-175
-176    x_shape = x.shape
-177
-178    if not callable(func):
-179        raise TypeError('func has to be a function.')
+172    Notes
+173    -----
+174    Based on the orthogonal distance regression module of scipy
+175    '''
+176
+177    output = Fit_result()
+178
+179    output.fit_function = func
 180
-181    for i in range(42):
-182        try:
-183            func(np.arange(i), x.T[0])
-184        except TypeError:
-185            continue
-186        except IndexError:
-187            continue
-188        else:
-189            break
-190    else:
-191        raise RuntimeError("Fit function is not valid.")
-192
-193    n_parms = i
-194    if not silent:
-195        print('Fit with', n_parms, 'parameter' + 's' * (n_parms > 1))
-196
-197    x_f = np.vectorize(lambda o: o.value)(x)
-198    dx_f = np.vectorize(lambda o: o.dvalue)(x)
-199    y_f = np.array([o.value for o in y])
-200    dy_f = np.array([o.dvalue for o in y])
-201
-202    if np.any(np.asarray(dx_f) <= 0.0):
-203        raise Exception('No x errors available, run the gamma method first.')
-204
-205    if np.any(np.asarray(dy_f) <= 0.0):
-206        raise Exception('No y errors available, run the gamma method first.')
-207
-208    if 'initial_guess' in kwargs:
-209        x0 = kwargs.get('initial_guess')
-210        if len(x0) != n_parms:
-211            raise Exception('Initial guess does not have the correct length: %d vs. %d' % (len(x0), n_parms))
-212    else:
-213        x0 = [1] * n_parms
-214
-215    data = RealData(x_f, y_f, sx=dx_f, sy=dy_f)
-216    model = Model(func)
-217    odr = ODR(data, model, x0, partol=np.finfo(np.float64).eps)
-218    odr.set_job(fit_type=0, deriv=1)
-219    out = odr.run()
-220
-221    output.residual_variance = out.res_var
-222
-223    output.method = 'ODR'
-224
-225    output.message = out.stopreason
-226
-227    output.xplus = out.xplus
+181    x = np.array(x)
+182
+183    x_shape = x.shape
+184
+185    if kwargs.get('num_grad') is True:
+186        jacobian = num_jacobian
+187        hessian = num_hessian
+188    else:
+189        jacobian = auto_jacobian
+190        hessian = auto_hessian
+191
+192    if not callable(func):
+193        raise TypeError('func has to be a function.')
+194
+195    for i in range(42):
+196        try:
+197            func(np.arange(i), x.T[0])
+198        except TypeError:
+199            continue
+200        except IndexError:
+201            continue
+202        else:
+203            break
+204    else:
+205        raise RuntimeError("Fit function is not valid.")
+206
+207    n_parms = i
+208    if not silent:
+209        print('Fit with', n_parms, 'parameter' + 's' * (n_parms > 1))
+210
+211    x_f = np.vectorize(lambda o: o.value)(x)
+212    dx_f = np.vectorize(lambda o: o.dvalue)(x)
+213    y_f = np.array([o.value for o in y])
+214    dy_f = np.array([o.dvalue for o in y])
+215
+216    if np.any(np.asarray(dx_f) <= 0.0):
+217        raise Exception('No x errors available, run the gamma method first.')
+218
+219    if np.any(np.asarray(dy_f) <= 0.0):
+220        raise Exception('No y errors available, run the gamma method first.')
+221
+222    if 'initial_guess' in kwargs:
+223        x0 = kwargs.get('initial_guess')
+224        if len(x0) != n_parms:
+225            raise Exception('Initial guess does not have the correct length: %d vs. %d' % (len(x0), n_parms))
+226    else:
+227        x0 = [1] * n_parms
 228
-229    if not silent:
-230        print('Method: ODR')
-231        print(*out.stopreason)
-232        print('Residual variance:', output.residual_variance)
-233
-234    if out.info > 3:
-235        raise Exception('The minimization procedure did not converge.')
+229    data = RealData(x_f, y_f, sx=dx_f, sy=dy_f)
+230    model = Model(func)
+231    odr = ODR(data, model, x0, partol=np.finfo(np.float64).eps)
+232    odr.set_job(fit_type=0, deriv=1)
+233    out = odr.run()
+234
+235    output.residual_variance = out.res_var
 236
-237    m = x_f.size
+237    output.method = 'ODR'
 238
-239    def odr_chisquare(p):
-240        model = func(p[:n_parms], p[n_parms:].reshape(x_shape))
-241        chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((x_f - p[n_parms:].reshape(x_shape)) / dx_f) ** 2)
-242        return chisq
-243
-244    if kwargs.get('expected_chisquare') is True:
-245        W = np.diag(1 / np.asarray(np.concatenate((dy_f.ravel(), dx_f.ravel()))))
-246
-247        if kwargs.get('covariance') is not None:
-248            cov = kwargs.get('covariance')
-249        else:
-250            cov = covariance(np.concatenate((y, x.ravel())))
-251
-252        number_of_x_parameters = int(m / x_f.shape[-1])
-253
-254        old_jac = jacobian(func)(out.beta, out.xplus)
-255        fused_row1 = np.concatenate((old_jac, np.concatenate((number_of_x_parameters * [np.zeros(old_jac.shape)]), axis=0)))
-256        fused_row2 = np.concatenate((jacobian(lambda x, y: func(y, x))(out.xplus, out.beta).reshape(x_f.shape[-1], x_f.shape[-1] * number_of_x_parameters), np.identity(number_of_x_parameters * old_jac.shape[0])))
-257        new_jac = np.concatenate((fused_row1, fused_row2), axis=1)
-258
-259        A = W @ new_jac
-260        P_phi = A @ np.linalg.pinv(A.T @ A) @ A.T
-261        expected_chisquare = np.trace((np.identity(P_phi.shape[0]) - P_phi) @ W @ cov @ W)
-262        if expected_chisquare <= 0.0:
-263            warnings.warn("Negative expected_chisquare.", RuntimeWarning)
-264            expected_chisquare = np.abs(expected_chisquare)
-265        output.chisquare_by_expected_chisquare = odr_chisquare(np.concatenate((out.beta, out.xplus.ravel()))) / expected_chisquare
-266        if not silent:
-267            print('chisquare/expected_chisquare:',
-268                  output.chisquare_by_expected_chisquare)
-269
-270    fitp = out.beta
-271    try:
-272        hess = jacobian(jacobian(odr_chisquare))(np.concatenate((fitp, out.xplus.ravel())))
-273    except TypeError:
-274        raise Exception("It is required to use autograd.numpy instead of numpy within fit functions, see the documentation for details.") from None
-275
-276    def odr_chisquare_compact_x(d):
-277        model = func(d[:n_parms], d[n_parms:n_parms + m].reshape(x_shape))
-278        chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((d[n_parms + m:].reshape(x_shape) - d[n_parms:n_parms + m].reshape(x_shape)) / dx_f) ** 2)
-279        return chisq
-280
-281    jac_jac_x = jacobian(jacobian(odr_chisquare_compact_x))(np.concatenate((fitp, out.xplus.ravel(), x_f.ravel())))
-282
-283    # Compute hess^{-1} @ jac_jac_x[:n_parms + m, n_parms + m:] using LAPACK dgesv
-284    try:
-285        deriv_x = -scipy.linalg.solve(hess, jac_jac_x[:n_parms + m, n_parms + m:])
-286    except np.linalg.LinAlgError:
-287        raise Exception("Cannot invert hessian matrix.")
-288
-289    def odr_chisquare_compact_y(d):
-290        model = func(d[:n_parms], d[n_parms:n_parms + m].reshape(x_shape))
-291        chisq = anp.sum(((d[n_parms + m:] - model) / dy_f) ** 2) + anp.sum(((x_f - d[n_parms:n_parms + m].reshape(x_shape)) / dx_f) ** 2)
-292        return chisq
-293
-294    jac_jac_y = jacobian(jacobian(odr_chisquare_compact_y))(np.concatenate((fitp, out.xplus.ravel(), y_f)))
-295
-296    # Compute hess^{-1} @ jac_jac_y[:n_parms + m, n_parms + m:] using LAPACK dgesv
-297    try:
-298        deriv_y = -scipy.linalg.solve(hess, jac_jac_y[:n_parms + m, n_parms + m:])
-299    except np.linalg.LinAlgError:
-300        raise Exception("Cannot invert hessian matrix.")
-301
-302    result = []
-303    for i in range(n_parms):
-304        result.append(derived_observable(lambda my_var, **kwargs: (my_var[0] + np.finfo(np.float64).eps) / (x.ravel()[0].value + np.finfo(np.float64).eps) * out.beta[i], list(x.ravel()) + list(y), man_grad=list(deriv_x[i]) + list(deriv_y[i])))
-305
-306    output.fit_parameters = result
+239    output.message = out.stopreason
+240
+241    output.xplus = out.xplus
+242
+243    if not silent:
+244        print('Method: ODR')
+245        print(*out.stopreason)
+246        print('Residual variance:', output.residual_variance)
+247
+248    if out.info > 3:
+249        raise Exception('The minimization procedure did not converge.')
+250
+251    m = x_f.size
+252
+253    def odr_chisquare(p):
+254        model = func(p[:n_parms], p[n_parms:].reshape(x_shape))
+255        chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((x_f - p[n_parms:].reshape(x_shape)) / dx_f) ** 2)
+256        return chisq
+257
+258    if kwargs.get('expected_chisquare') is True:
+259        W = np.diag(1 / np.asarray(np.concatenate((dy_f.ravel(), dx_f.ravel()))))
+260
+261        if kwargs.get('covariance') is not None:
+262            cov = kwargs.get('covariance')
+263        else:
+264            cov = covariance(np.concatenate((y, x.ravel())))
+265
+266        number_of_x_parameters = int(m / x_f.shape[-1])
+267
+268        old_jac = jacobian(func)(out.beta, out.xplus)
+269        fused_row1 = np.concatenate((old_jac, np.concatenate((number_of_x_parameters * [np.zeros(old_jac.shape)]), axis=0)))
+270        fused_row2 = np.concatenate((jacobian(lambda x, y: func(y, x))(out.xplus, out.beta).reshape(x_f.shape[-1], x_f.shape[-1] * number_of_x_parameters), np.identity(number_of_x_parameters * old_jac.shape[0])))
+271        new_jac = np.concatenate((fused_row1, fused_row2), axis=1)
+272
+273        A = W @ new_jac
+274        P_phi = A @ np.linalg.pinv(A.T @ A) @ A.T
+275        expected_chisquare = np.trace((np.identity(P_phi.shape[0]) - P_phi) @ W @ cov @ W)
+276        if expected_chisquare <= 0.0:
+277            warnings.warn("Negative expected_chisquare.", RuntimeWarning)
+278            expected_chisquare = np.abs(expected_chisquare)
+279        output.chisquare_by_expected_chisquare = odr_chisquare(np.concatenate((out.beta, out.xplus.ravel()))) / expected_chisquare
+280        if not silent:
+281            print('chisquare/expected_chisquare:',
+282                  output.chisquare_by_expected_chisquare)
+283
+284    fitp = out.beta
+285    try:
+286        hess = hessian(odr_chisquare)(np.concatenate((fitp, out.xplus.ravel())))
+287    except TypeError:
+288        raise Exception("It is required to use autograd.numpy instead of numpy within fit functions, see the documentation for details.") from None
+289
+290    def odr_chisquare_compact_x(d):
+291        model = func(d[:n_parms], d[n_parms:n_parms + m].reshape(x_shape))
+292        chisq = anp.sum(((y_f - model) / dy_f) ** 2) + anp.sum(((d[n_parms + m:].reshape(x_shape) - d[n_parms:n_parms + m].reshape(x_shape)) / dx_f) ** 2)
+293        return chisq
+294
+295    jac_jac_x = hessian(odr_chisquare_compact_x)(np.concatenate((fitp, out.xplus.ravel(), x_f.ravel())))
+296
+297    # Compute hess^{-1} @ jac_jac_x[:n_parms + m, n_parms + m:] using LAPACK dgesv
+298    try:
+299        deriv_x = -scipy.linalg.solve(hess, jac_jac_x[:n_parms + m, n_parms + m:])
+300    except np.linalg.LinAlgError:
+301        raise Exception("Cannot invert hessian matrix.")
+302
+303    def odr_chisquare_compact_y(d):
+304        model = func(d[:n_parms], d[n_parms:n_parms + m].reshape(x_shape))
+305        chisq = anp.sum(((d[n_parms + m:] - model) / dy_f) ** 2) + anp.sum(((x_f - d[n_parms:n_parms + m].reshape(x_shape)) / dx_f) ** 2)
+306        return chisq
 307
-308    output.odr_chisquare = odr_chisquare(np.concatenate((out.beta, out.xplus.ravel())))
-309    output.dof = x.shape[-1] - n_parms
-310    output.p_value = 1 - scipy.stats.chi2.cdf(output.odr_chisquare, output.dof)
-311
-312    return output
+308    jac_jac_y = hessian(odr_chisquare_compact_y)(np.concatenate((fitp, out.xplus.ravel(), y_f)))
+309
+310    # Compute hess^{-1} @ jac_jac_y[:n_parms + m, n_parms + m:] using LAPACK dgesv
+311    try:
+312        deriv_y = -scipy.linalg.solve(hess, jac_jac_y[:n_parms + m, n_parms + m:])
+313    except np.linalg.LinAlgError:
+314        raise Exception("Cannot invert hessian matrix.")
+315
+316    result = []
+317    for i in range(n_parms):
+318        result.append(derived_observable(lambda my_var, **kwargs: (my_var[0] + np.finfo(np.float64).eps) / (x.ravel()[0].value + np.finfo(np.float64).eps) * out.beta[i], list(x.ravel()) + list(y), man_grad=list(deriv_x[i]) + list(deriv_y[i])))
+319
+320    output.fit_parameters = result
+321
+322    output.odr_chisquare = odr_chisquare(np.concatenate((out.beta, out.xplus.ravel())))
+323    output.dof = x.shape[-1] - n_parms
+324    output.p_value = 1 - scipy.stats.chi2.cdf(output.odr_chisquare, output.dof)
+325
+326    return output
 
    
 
 
@@ -1362,6 +1402,8 @@ If true prints the expected chisquare which is
 corrected by effects caused by correlated input data.
 This can take a while as the full correlation matrix
 has to be calculated (default False).
+
  • num_grad (bool):
+Use numerical differentation instead of automatic differentiation to perform the error propagation (default False).
    • 
 
 
 
    Notes
    
@@ -1382,30 +1424,30 @@ has to be calculated (default False).
    - 
    620def fit_lin(x, y, **kwargs):
-621    """Performs a linear fit to y = n + m * x and returns two Obs n, m.
-622
-623    Parameters
-624    ----------
-625    x : list
-626        Can either be a list of floats in which case no xerror is assumed, or
-627        a list of Obs, where the dvalues of the Obs are used as xerror for the fit.
-628    y : list
-629        List of Obs, the dvalues of the Obs are used as yerror for the fit.
-630    """
-631
-632    def f(a, x):
-633        y = a[0] + a[1] * x
-634        return y
-635
-636    if all(isinstance(n, Obs) for n in x):
-637        out = total_least_squares(x, y, f, **kwargs)
-638        return out.fit_parameters
-639    elif all(isinstance(n, float) or isinstance(n, int) for n in x) or isinstance(x, np.ndarray):
-640        out = least_squares(x, y, f, **kwargs)
-641        return out.fit_parameters
-642    else:
-643        raise Exception('Unsupported types for x')
+            
    647def fit_lin(x, y, **kwargs):
+648    """Performs a linear fit to y = n + m * x and returns two Obs n, m.
+649
+650    Parameters
+651    ----------
+652    x : list
+653        Can either be a list of floats in which case no xerror is assumed, or
+654        a list of Obs, where the dvalues of the Obs are used as xerror for the fit.
+655    y : list
+656        List of Obs, the dvalues of the Obs are used as yerror for the fit.
+657    """
+658
+659    def f(a, x):
+660        y = a[0] + a[1] * x
+661        return y
+662
+663    if all(isinstance(n, Obs) for n in x):
+664        out = total_least_squares(x, y, f, **kwargs)
+665        return out.fit_parameters
+666    elif all(isinstance(n, float) or isinstance(n, int) for n in x) or isinstance(x, np.ndarray):
+667        out = least_squares(x, y, f, **kwargs)
+668        return out.fit_parameters
+669    else:
+670        raise Exception('Unsupported types for x')
 
    
 
 
@@ -1435,30 +1477,30 @@ List of Obs, the dvalues of the Obs are used as yerror for the fit.
    - 
    646def qqplot(x, o_y, func, p):
-647    """Generates a quantile-quantile plot of the fit result which can be used to
-648       check if the residuals of the fit are gaussian distributed.
-649    """
-650
-651    residuals = []
-652    for i_x, i_y in zip(x, o_y):
-653        residuals.append((i_y - func(p, i_x)) / i_y.dvalue)
-654    residuals = sorted(residuals)
-655    my_y = [o.value for o in residuals]
-656    probplot = scipy.stats.probplot(my_y)
-657    my_x = probplot[0][0]
-658    plt.figure(figsize=(8, 8 / 1.618))
-659    plt.errorbar(my_x, my_y, fmt='o')
-660    fit_start = my_x[0]
-661    fit_stop = my_x[-1]
-662    samples = np.arange(fit_start, fit_stop, 0.01)
-663    plt.plot(samples, samples, 'k--', zorder=11, label='Standard normal distribution')
-664    plt.plot(samples, probplot[1][0] * samples + probplot[1][1], zorder=10, label='Least squares fit, r=' + str(np.around(probplot[1][2], 3)), marker='', ls='-')
-665
-666    plt.xlabel('Theoretical quantiles')
-667    plt.ylabel('Ordered Values')
-668    plt.legend()
-669    plt.draw()
+            
    673def qqplot(x, o_y, func, p):
+674    """Generates a quantile-quantile plot of the fit result which can be used to
+675       check if the residuals of the fit are gaussian distributed.
+676    """
+677
+678    residuals = []
+679    for i_x, i_y in zip(x, o_y):
+680        residuals.append((i_y - func(p, i_x)) / i_y.dvalue)
+681    residuals = sorted(residuals)
+682    my_y = [o.value for o in residuals]
+683    probplot = scipy.stats.probplot(my_y)
+684    my_x = probplot[0][0]
+685    plt.figure(figsize=(8, 8 / 1.618))
+686    plt.errorbar(my_x, my_y, fmt='o')
+687    fit_start = my_x[0]
+688    fit_stop = my_x[-1]
+689    samples = np.arange(fit_start, fit_stop, 0.01)
+690    plt.plot(samples, samples, 'k--', zorder=11, label='Standard normal distribution')
+691    plt.plot(samples, probplot[1][0] * samples + probplot[1][1], zorder=10, label='Least squares fit, r=' + str(np.around(probplot[1][2], 3)), marker='', ls='-')
+692
+693    plt.xlabel('Theoretical quantiles')
+694    plt.ylabel('Ordered Values')
+695    plt.legend()
+696    plt.draw()
 
    
 
 
@@ -1479,34 +1521,34 @@ check if the residuals of the fit are gaussian distributed.
    - 
    672def residual_plot(x, y, func, fit_res):
-673    """ Generates a plot which compares the fit to the data and displays the corresponding residuals"""
-674    sorted_x = sorted(x)
-675    xstart = sorted_x[0] - 0.5 * (sorted_x[1] - sorted_x[0])
-676    xstop = sorted_x[-1] + 0.5 * (sorted_x[-1] - sorted_x[-2])
-677    x_samples = np.arange(xstart, xstop + 0.01, 0.01)
-678
-679    plt.figure(figsize=(8, 8 / 1.618))
-680    gs = gridspec.GridSpec(2, 1, height_ratios=[3, 1], wspace=0.0, hspace=0.0)
-681    ax0 = plt.subplot(gs[0])
-682    ax0.errorbar(x, [o.value for o in y], yerr=[o.dvalue for o in y], ls='none', fmt='o', capsize=3, markersize=5, label='Data')
-683    ax0.plot(x_samples, func([o.value for o in fit_res], x_samples), label='Fit', zorder=10, ls='-', ms=0)
-684    ax0.set_xticklabels([])
-685    ax0.set_xlim([xstart, xstop])
-686    ax0.set_xticklabels([])
-687    ax0.legend()
-688
-689    residuals = (np.asarray([o.value for o in y]) - func([o.value for o in fit_res], x)) / np.asarray([o.dvalue for o in y])
-690    ax1 = plt.subplot(gs[1])
-691    ax1.plot(x, residuals, 'ko', ls='none', markersize=5)
-692    ax1.tick_params(direction='out')
-693    ax1.tick_params(axis="x", bottom=True, top=True, labelbottom=True)
-694    ax1.axhline(y=0.0, ls='--', color='k', marker=" ")
-695    ax1.fill_between(x_samples, -1.0, 1.0, alpha=0.1, facecolor='k')
-696    ax1.set_xlim([xstart, xstop])
-697    ax1.set_ylabel('Residuals')
-698    plt.subplots_adjust(wspace=None, hspace=None)
-699    plt.draw()
+            
    699def residual_plot(x, y, func, fit_res):
+700    """ Generates a plot which compares the fit to the data and displays the corresponding residuals"""
+701    sorted_x = sorted(x)
+702    xstart = sorted_x[0] - 0.5 * (sorted_x[1] - sorted_x[0])
+703    xstop = sorted_x[-1] + 0.5 * (sorted_x[-1] - sorted_x[-2])
+704    x_samples = np.arange(xstart, xstop + 0.01, 0.01)
+705
+706    plt.figure(figsize=(8, 8 / 1.618))
+707    gs = gridspec.GridSpec(2, 1, height_ratios=[3, 1], wspace=0.0, hspace=0.0)
+708    ax0 = plt.subplot(gs[0])
+709    ax0.errorbar(x, [o.value for o in y], yerr=[o.dvalue for o in y], ls='none', fmt='o', capsize=3, markersize=5, label='Data')
+710    ax0.plot(x_samples, func([o.value for o in fit_res], x_samples), label='Fit', zorder=10, ls='-', ms=0)
+711    ax0.set_xticklabels([])
+712    ax0.set_xlim([xstart, xstop])
+713    ax0.set_xticklabels([])
+714    ax0.legend()
+715
+716    residuals = (np.asarray([o.value for o in y]) - func([o.value for o in fit_res], x)) / np.asarray([o.dvalue for o in y])
+717    ax1 = plt.subplot(gs[1])
+718    ax1.plot(x, residuals, 'ko', ls='none', markersize=5)
+719    ax1.tick_params(direction='out')
+720    ax1.tick_params(axis="x", bottom=True, top=True, labelbottom=True)
+721    ax1.axhline(y=0.0, ls='--', color='k', marker=" ")
+722    ax1.fill_between(x_samples, -1.0, 1.0, alpha=0.1, facecolor='k')
+723    ax1.set_xlim([xstart, xstop])
+724    ax1.set_ylabel('Residuals')
+725    plt.subplots_adjust(wspace=None, hspace=None)
+726    plt.draw()
 
    
 
 
@@ -1526,22 +1568,22 @@ check if the residuals of the fit are gaussian distributed.
    - 
    702def error_band(x, func, beta):
-703    """Returns the error band for an array of sample values x, for given fit function func with optimized parameters beta."""
-704    cov = covariance(beta)
-705    if np.any(np.abs(cov - cov.T) > 1000 * np.finfo(np.float64).eps):
-706        warnings.warn("Covariance matrix is not symmetric within floating point precision", RuntimeWarning)
-707
-708    deriv = []
-709    for i, item in enumerate(x):
-710        deriv.append(np.array(egrad(func)([o.value for o in beta], item)))
-711
-712    err = []
-713    for i, item in enumerate(x):
-714        err.append(np.sqrt(deriv[i] @ cov @ deriv[i]))
-715    err = np.array(err)
-716
-717    return err
+            
    729def error_band(x, func, beta):
+730    """Returns the error band for an array of sample values x, for given fit function func with optimized parameters beta."""
+731    cov = covariance(beta)
+732    if np.any(np.abs(cov - cov.T) > 1000 * np.finfo(np.float64).eps):
+733        warnings.warn("Covariance matrix is not symmetric within floating point precision", RuntimeWarning)
+734
+735    deriv = []
+736    for i, item in enumerate(x):
+737        deriv.append(np.array(egrad(func)([o.value for o in beta], item)))
+738
+739    err = []
+740    for i, item in enumerate(x):
+741        err.append(np.sqrt(deriv[i] @ cov @ deriv[i]))
+742    err = np.array(err)
+743
+744    return err
 
    
 
 
@@ -1561,44 +1603,44 @@ check if the residuals of the fit are gaussian distributed.
    - 
    720def ks_test(objects=None):
-721    """Performs a Kolmogorov–Smirnov test for the p-values of all fit object.
-722
-723    Parameters
-724    ----------
-725    objects : list
-726        List of fit results to include in the analysis (optional).
-727    """
-728
-729    if objects is None:
-730        obs_list = []
-731        for obj in gc.get_objects():
-732            if isinstance(obj, Fit_result):
-733                obs_list.append(obj)
-734    else:
-735        obs_list = objects
-736
-737    p_values = [o.p_value for o in obs_list]
-738
-739    bins = len(p_values)
-740    x = np.arange(0, 1.001, 0.001)
-741    plt.plot(x, x, 'k', zorder=1)
-742    plt.xlim(0, 1)
-743    plt.ylim(0, 1)
-744    plt.xlabel('p-value')
-745    plt.ylabel('Cumulative probability')
-746    plt.title(str(bins) + ' p-values')
-747
-748    n = np.arange(1, bins + 1) / np.float64(bins)
-749    Xs = np.sort(p_values)
-750    plt.step(Xs, n)
-751    diffs = n - Xs
-752    loc_max_diff = np.argmax(np.abs(diffs))
-753    loc = Xs[loc_max_diff]
-754    plt.annotate('', xy=(loc, loc), xytext=(loc, loc + diffs[loc_max_diff]), arrowprops=dict(arrowstyle='<->', shrinkA=0, shrinkB=0))
-755    plt.draw()
-756
-757    print(scipy.stats.kstest(p_values, 'uniform'))
+            
    747def ks_test(objects=None):
+748    """Performs a Kolmogorov–Smirnov test for the p-values of all fit object.
+749
+750    Parameters
+751    ----------
+752    objects : list
+753        List of fit results to include in the analysis (optional).
+754    """
+755
+756    if objects is None:
+757        obs_list = []
+758        for obj in gc.get_objects():
+759            if isinstance(obj, Fit_result):
+760                obs_list.append(obj)
+761    else:
+762        obs_list = objects
+763
+764    p_values = [o.p_value for o in obs_list]
+765
+766    bins = len(p_values)
+767    x = np.arange(0, 1.001, 0.001)
+768    plt.plot(x, x, 'k', zorder=1)
+769    plt.xlim(0, 1)
+770    plt.ylim(0, 1)
+771    plt.xlabel('p-value')
+772    plt.ylabel('Cumulative probability')
+773    plt.title(str(bins) + ' p-values')
+774
+775    n = np.arange(1, bins + 1) / np.float64(bins)
+776    Xs = np.sort(p_values)
+777    plt.step(Xs, n)
+778    diffs = n - Xs
+779    loc_max_diff = np.argmax(np.abs(diffs))
+780    loc = Xs[loc_max_diff]
+781    plt.annotate('', xy=(loc, loc), xytext=(loc, loc + diffs[loc_max_diff]), arrowprops=dict(arrowstyle='<->', shrinkA=0, shrinkB=0))
+782    plt.draw()
+783
+784    print(scipy.stats.kstest(p_values, 'uniform'))
 
    
 
 
diff --git a/docs/search.js b/docs/search.js
index 9fb44ad2..f27433b0 100644
--- a/docs/search.js
+++ b/docs/search.js
@@ -1,6 +1,6 @@
 window.pdocSearch = (function(){
 /** elasticlunr - http://weixsong.github.io * Copyright (C) 2017 Oliver Nightingale * Copyright (C) 2017 Wei Song * MIT Licensed */!function(){function e(e){if(null===e||"object"!=typeof e)return e;var t=e.constructor();for(var n in e)e.hasOwnProperty(n)&&(t[n]=e[n]);return t}var t=function(e){var n=new t.Index;return n.pipeline.add(t.trimmer,t.stopWordFilter,t.stemmer),e&&e.call(n,n),n};t.version="0.9.5",lunr=t,t.utils={},t.utils.warn=function(e){return function(t){e.console&&console.warn&&console.warn(t)}}(this),t.utils.toString=function(e){return void 0===e||null===e?"":e.toString()},t.EventEmitter=function(){this.events={}},t.EventEmitter.prototype.addListener=function(){var e=Array.prototype.slice.call(arguments),t=e.pop(),n=e;if("function"!=typeof t)throw new TypeError("last argument must be a function");n.forEach(function(e){this.hasHandler(e)||(this.events[e]=[]),this.events[e].push(t)},this)},t.EventEmitter.prototype.removeListener=function(e,t){if(this.hasHandler(e)){var n=this.events[e].indexOf(t);-1!==n&&(this.events[e].splice(n,1),0==this.events[e].length&&delete this.events[e])}},t.EventEmitter.prototype.emit=function(e){if(this.hasHandler(e)){var t=Array.prototype.slice.call(arguments,1);this.events[e].forEach(function(e){e.apply(void 0,t)},this)}},t.EventEmitter.prototype.hasHandler=function(e){return e in this.events},t.tokenizer=function(e){if(!arguments.length||null===e||void 0===e)return[];if(Array.isArray(e)){var n=e.filter(function(e){return null===e||void 0===e?!1:!0});n=n.map(function(e){return t.utils.toString(e).toLowerCase()});var i=[];return n.forEach(function(e){var n=e.split(t.tokenizer.seperator);i=i.concat(n)},this),i}return e.toString().trim().toLowerCase().split(t.tokenizer.seperator)},t.tokenizer.defaultSeperator=/[\s\-]+/,t.tokenizer.seperator=t.tokenizer.defaultSeperator,t.tokenizer.setSeperator=function(e){null!==e&&void 0!==e&&"object"==typeof e&&(t.tokenizer.seperator=e)},t.tokenizer.resetSeperator=function(){t.tokenizer.seperator=t.tokenizer.defaultSeperator},t.tokenizer.getSeperator=function(){return t.tokenizer.seperator},t.Pipeline=function(){this._queue=[]},t.Pipeline.registeredFunctions={},t.Pipeline.registerFunction=function(e,n){n in t.Pipeline.registeredFunctions&&t.utils.warn("Overwriting existing registered function: "+n),e.label=n,t.Pipeline.registeredFunctions[n]=e},t.Pipeline.getRegisteredFunction=function(e){return e in t.Pipeline.registeredFunctions!=!0?null:t.Pipeline.registeredFunctions[e]},t.Pipeline.warnIfFunctionNotRegistered=function(e){var n=e.label&&e.label in this.registeredFunctions;n||t.utils.warn("Function is not registered with pipeline. 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configuration"),this.buildDefaultConfig(n)}},t.Configuration.prototype.buildDefaultConfig=function(e){this.reset(),e.forEach(function(e){this.config[e]={boost:1,bool:"OR",expand:!1}},this)},t.Configuration.prototype.buildUserConfig=function(e,n){var i="OR",o=!1;if(this.reset(),"bool"in e&&(i=e.bool||i),"expand"in e&&(o=e.expand||o),"fields"in e)for(var r in e.fields)if(n.indexOf(r)>-1){var s=e.fields[r],u=o;void 0!=s.expand&&(u=s.expand),this.config[r]={boost:s.boost||0===s.boost?s.boost:1,bool:s.bool||i,expand:u}}else t.utils.warn("field name in user configuration not found in index instance fields");else this.addAllFields2UserConfig(i,o,n)},t.Configuration.prototype.addAllFields2UserConfig=function(e,t,n){n.forEach(function(n){this.config[n]={boost:1,bool:e,expand:t}},this)},t.Configuration.prototype.get=function(){return this.config},t.Configuration.prototype.reset=function(){this.config={}},lunr.SortedSet=function(){this.length=0,this.elements=[]},lunr.SortedSet.load=function(e){var t=new this;return t.elements=e,t.length=e.length,t},lunr.SortedSet.prototype.add=function(){var e,t;for(e=0;e1;){if(r===e)return o;e>r&&(t=o),r>e&&(n=o),i=n-t,o=t+Math.floor(i/2),r=this.elements[o]}return r===e?o:-1},lunr.SortedSet.prototype.locationFor=function(e){for(var t=0,n=this.elements.length,i=n-t,o=t+Math.floor(i/2),r=this.elements[o];i>1;)e>r&&(t=o),r>e&&(n=o),i=n-t,o=t+Math.floor(i/2),r=this.elements[o];return r>e?o:e>r?o+1:void 0},lunr.SortedSet.prototype.intersect=function(e){for(var t=new lunr.SortedSet,n=0,i=0,o=this.length,r=e.length,s=this.elements,u=e.elements;;){if(n>o-1||i>r-1)break;s[n]!==u[i]?s[n]u[i]&&i++:(t.add(s[n]),n++,i++)}return t},lunr.SortedSet.prototype.clone=function(){var e=new lunr.SortedSet;return e.elements=this.toArray(),e.length=e.elements.length,e},lunr.SortedSet.prototype.union=function(e){var t,n,i;this.length>=e.length?(t=this,n=e):(t=e,n=this),i=t.clone();for(var o=0,r=n.toArray();oWhat is pyerrors?\n\n
    pyerrors is a python package for error computation and propagation of Markov chain Monte Carlo data.\nIt is based on the gamma method arXiv:hep-lat/0306017. Some of its features are:
    \n\n
      \n
    • automatic differentiation for exact linear error propagation as suggested in arXiv:1809.01289 (partly based on the autograd package).
      • \n
    • treatment of slow modes in the simulation as suggested in arXiv:1009.5228.
      • \n
    • coherent error propagation for data from different Markov chains.
      • \n
    • non-linear fits with x- and y-errors and exact linear error propagation based on automatic differentiation as introduced in arXiv:1809.01289.
      • \n
    • real and complex matrix operations and their error propagation based on automatic differentiation (Matrix inverse, Cholesky decomposition, calculation of eigenvalues and eigenvectors, singular value decomposition...).
      • \n
    \n\n
    More detailed examples can found in the GitHub repository \"badge\".
    \n\n
    If you use pyerrors for research that leads to a publication please consider citing:
    \n\n
      \n
    • Fabian Joswig, Simon Kuberski, Justus T. Kuhlmann, Jan Neuendorf, pyerrors: a python framework for error analysis of Monte Carlo data. [arXiv:2209.14371 [hep-lat]].
      • \n
    • Ulli Wolff, Monte Carlo errors with less errors. Comput.Phys.Commun. 156 (2004) 143-153, Comput.Phys.Commun. 176 (2007) 383 (erratum).
      • \n
    • Alberto Ramos, Automatic differentiation for error analysis of Monte Carlo data. Comput.Phys.Commun. 238 (2019) 19-35.
      • \n
    \n\n
    and
    \n\n
      \n
    • Stefan Schaefer, Rainer Sommer, Francesco Virotta, Critical slowing down and error analysis in lattice QCD simulations. Nucl.Phys.B 845 (2011) 93-119.
      • \n
    \n\n
    where applicable.
    \n\n
    There exist similar publicly available implementations of gamma method error analysis suites in Fortran, Julia and Python.
    \n\n
    Basic example
    \n\n
    \n
    import numpy as np\nimport pyerrors as pe\n\nmy_obs = pe.Obs([samples], ['ensemble_name']) # Initialize an Obs object\nmy_new_obs = 2 * np.log(my_obs) / my_obs ** 2 # Construct derived Obs object\nmy_new_obs.gamma_method()                     # Estimate the statistical error\nprint(my_new_obs)                             # Print the result to stdout\n> 0.31498(72)\n
    \n
    \n\n
    The Obs class
    \n\n
    pyerrors introduces a new datatype, Obs, which simplifies error propagation and estimation for auto- and cross-correlated data.\nAn Obs object can be initialized with two arguments, the first is a list containing the samples for an observable from a Monte Carlo chain.\nThe samples can either be provided as python list or as numpy array.\nThe second argument is a list containing the names of the respective Monte Carlo chains as strings. These strings uniquely identify a Monte Carlo chain/ensemble.
    \n\n
    \n
    import pyerrors as pe\n\nmy_obs = pe.Obs([samples], ['ensemble_name'])\n
    \n
    \n\n
    Error propagation
    \n\n
    When performing mathematical operations on Obs objects the correct error propagation is intrinsically taken care of using a first order Taylor expansion\n$$\\delta_f^i=\\sum_\\alpha \\bar{f}_\\alpha \\delta_\\alpha^i\\,,\\quad \\delta_\\alpha^i=a_\\alpha^i-\\bar{a}_\\alpha\\,,$$\nas introduced in arXiv:hep-lat/0306017.\nThe required derivatives $\\bar{f}_\\alpha$ are evaluated up to machine precision via automatic differentiation as suggested in arXiv:1809.01289.
    \n\n
    The Obs class is designed such that mathematical numpy functions can be used on Obs just as for regular floats.
    \n\n
    \n
    import numpy as np\nimport pyerrors as pe\n\nmy_obs1 = pe.Obs([samples1], ['ensemble_name'])\nmy_obs2 = pe.Obs([samples2], ['ensemble_name'])\n\nmy_sum = my_obs1 + my_obs2\n\nmy_m_eff = np.log(my_obs1 / my_obs2)\n\niamzero = my_m_eff - my_m_eff\n# Check that value and fluctuations are zero within machine precision\nprint(iamzero == 0.0)\n> True\n
    \n
    \n\n
    Error estimation
    \n\n
    The error estimation within pyerrors is based on the gamma method introduced in arXiv:hep-lat/0306017.\nAfter having arrived at the derived quantity of interest the gamma_method can be called as detailed in the following example.
    \n\n
    \n
    my_sum.gamma_method()\nprint(my_sum)\n> 1.70(57)\nmy_sum.details()\n> Result         1.70000000e+00 +/- 5.72046658e-01 +/- 7.56746598e-02 (33.650%)\n>  t_int         2.71422900e+00 +/- 6.40320983e-01 S = 2.00\n> 1000 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble_name' : 1000 configurations (from 1 to 1000)\n
    \n
    \n\n
    We use the following definition of the integrated autocorrelation time established in Madras & Sokal 1988\n$$\\tau_\\mathrm{int}=\\frac{1}{2}+\\sum_{t=1}^{W}\\rho(t)\\geq \\frac{1}{2}\\,.$$\nThe window $W$ is determined via the automatic windowing procedure described in arXiv:hep-lat/0306017.\nThe standard value for the parameter $S$ of this automatic windowing procedure is $S=2$. Other values for $S$ can be passed to the gamma_method as parameter.
    \n\n
    \n
    my_sum.gamma_method(S=3.0)\nmy_sum.details()\n> Result         1.70000000e+00 +/- 6.30675201e-01 +/- 1.04585650e-01 (37.099%)\n>  t_int         3.29909703e+00 +/- 9.77310102e-01 S = 3.00\n> 1000 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble_name' : 1000 configurations (from 1 to 1000)\n
    \n
    \n\n
    The integrated autocorrelation time $\\tau_\\mathrm{int}$ and the autocorrelation function $\\rho(W)$ can be monitored via the methods pyerrors.obs.Obs.plot_tauint and pyerrors.obs.Obs.plot_rho.
    \n\n
    If the parameter $S$ is set to zero it is assumed that the dataset does not exhibit any autocorrelation and the window size is chosen to be zero.\nIn this case the error estimate is identical to the sample standard error.
    \n\n
    Exponential tails
    \n\n
    Slow modes in the Monte Carlo history can be accounted for by attaching an exponential tail to the autocorrelation function $\\rho$ as suggested in arXiv:1009.5228. The longest autocorrelation time in the history, $\\tau_\\mathrm{exp}$, can be passed to the gamma_method as parameter. In this case the automatic windowing procedure is vacated and the parameter $S$ does not affect the error estimate.
    \n\n
    \n
    my_sum.gamma_method(tau_exp=7.2)\nmy_sum.details()\n> Result         1.70000000e+00 +/- 6.28097762e-01 +/- 5.79077524e-02 (36.947%)\n>  t_int         3.27218667e+00 +/- 7.99583654e-01 tau_exp = 7.20,  N_sigma = 1\n> 1000 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble_name' : 1000 configurations (from 1 to 1000)\n
    \n
    \n\n
    For the full API see pyerrors.obs.Obs.gamma_method.
    \n\n
    Multiple ensembles/replica
    \n\n
    Error propagation for multiple ensembles (Markov chains with different simulation parameters) is handled automatically. Ensembles are uniquely identified by their name.
    \n\n
    \n
    obs1 = pe.Obs([samples1], ['ensemble1'])\nobs2 = pe.Obs([samples2], ['ensemble2'])\n\nmy_sum = obs1 + obs2\nmy_sum.details()\n> Result   2.00697958e+00\n> 1500 samples in 2 ensembles:\n>   \u00b7 Ensemble 'ensemble1' : 1000 configurations (from 1 to 1000)\n>   \u00b7 Ensemble 'ensemble2' : 500 configurations (from 1 to 500)\n
    \n
    \n\n
    pyerrors identifies multiple replica (independent Markov chains with identical simulation parameters) by the vertical bar | in the name of the data set.
    \n\n
    \n
    obs1 = pe.Obs([samples1], ['ensemble1|r01'])\nobs2 = pe.Obs([samples2], ['ensemble1|r02'])\n\n> my_sum = obs1 + obs2\n> my_sum.details()\n> Result   2.00697958e+00\n> 1500 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble1'\n>     \u00b7 Replicum 'r01' : 1000 configurations (from 1 to 1000)\n>     \u00b7 Replicum 'r02' : 500 configurations (from 1 to 500)\n
    \n
    \n\n
    Error estimation for multiple ensembles
    \n\n
    In order to keep track of different error analysis parameters for different ensembles one can make use of global dictionaries as detailed in the following example.
    \n\n
    \n
    pe.Obs.S_dict['ensemble1'] = 2.5\npe.Obs.tau_exp_dict['ensemble2'] = 8.0\npe.Obs.tau_exp_dict['ensemble3'] = 2.0\n
    \n
    \n\n
    In case the gamma_method is called without any parameters it will use the values specified in the dictionaries for the respective ensembles.\nPassing arguments to the gamma_method still dominates over the dictionaries.
    \n\n
    Irregular Monte Carlo chains
    \n\n
    Obs objects defined on irregular Monte Carlo chains can be initialized with the parameter idl.
    \n\n
    \n
    # Observable defined on configurations 20 to 519\nobs1 = pe.Obs([samples1], ['ensemble1'], idl=[range(20, 520)])\nobs1.details()\n> Result         9.98319881e-01\n> 500 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble1' : 500 configurations (from 20 to 519)\n\n# Observable defined on every second configuration between 5 and 1003\nobs2 = pe.Obs([samples2], ['ensemble1'], idl=[range(5, 1005, 2)])\nobs2.details()\n> Result         9.99100712e-01\n> 500 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble1' : 500 configurations (from 5 to 1003 in steps of 2)\n\n# Observable defined on configurations 2, 9, 28, 29 and 501\nobs3 = pe.Obs([samples3], ['ensemble1'], idl=[[2, 9, 28, 29, 501]])\nobs3.details()\n> Result         1.01718064e+00\n> 5 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble1' : 5 configurations (irregular range)\n
    \n
    \n\n
    Obs objects defined on regular and irregular histories of the same ensemble can be combined with each other and the correct error propagation and estimation is automatically taken care of.
    \n\n
    Warning: Irregular Monte Carlo chains can result in odd patterns in the autocorrelation functions.\nMake sure to check the autocorrelation time with e.g. pyerrors.obs.Obs.plot_rho or pyerrors.obs.Obs.plot_tauint.
    \n\n
    For the full API see pyerrors.obs.Obs.
    \n\n
    Correlators
    \n\n
    When one is not interested in single observables but correlation functions, pyerrors offers the Corr class which simplifies the corresponding error propagation and provides the user with a set of standard methods. In order to initialize a Corr objects one needs to arrange the data as a list of Obs
    \n\n
    \n
    my_corr = pe.Corr([obs_0, obs_1, obs_2, obs_3])\nprint(my_corr)\n> x0/a  Corr(x0/a)\n> ------------------\n> 0      0.7957(80)\n> 1      0.5156(51)\n> 2      0.3227(33)\n> 3      0.2041(21)\n
    \n
    \n\n
    In case the correlation functions are not defined on the outermost timeslices, for example because of fixed boundary conditions, a padding can be introduced.
    \n\n
    \n
    my_corr = pe.Corr([obs_0, obs_1, obs_2, obs_3], padding=[1, 1])\nprint(my_corr)\n> x0/a  Corr(x0/a)\n> ------------------\n> 0\n> 1      0.7957(80)\n> 2      0.5156(51)\n> 3      0.3227(33)\n> 4      0.2041(21)\n> 5\n
    \n
    \n\n
    The individual entries of a correlator can be accessed via slicing
    \n\n
    \n
    print(my_corr[3])\n> 0.3227(33)\n
    \n
    \n\n
    Error propagation with the Corr class works very similar to Obs objects. Mathematical operations are overloaded and Corr objects can be computed together with other Corr objects, Obs objects or real numbers and integers.
    \n\n
    \n
    my_new_corr = 0.3 * my_corr[2] * my_corr * my_corr + 12 / my_corr\n
    \n
    \n\n
    pyerrors provides the user with a set of regularly used methods for the manipulation of correlator objects:
    \n\n
      \n
    • Corr.gamma_method applies the gamma method to all entries of the correlator.
      • \n
    • Corr.m_eff to construct effective masses. Various variants for periodic and fixed temporal boundary conditions are available.
      • \n
    • Corr.deriv returns the first derivative of the correlator as Corr. Different discretizations of the numerical derivative are available.
      • \n
    • Corr.second_deriv returns the second derivative of the correlator as Corr. Different discretizations of the numerical derivative are available.
      • \n
    • Corr.symmetric symmetrizes parity even correlations functions, assuming periodic boundary conditions.
      • \n
    • Corr.anti_symmetric anti-symmetrizes parity odd correlations functions, assuming periodic boundary conditions.
      • \n
    • Corr.T_symmetry averages a correlator with its time symmetry partner, assuming fixed boundary conditions.
      • \n
    • Corr.plateau extracts a plateau value from the correlator in a given range.
      • \n
    • Corr.roll periodically shifts the correlator.
      • \n
    • Corr.reverse reverses the time ordering of the correlator.
      • \n
    • Corr.correlate constructs a disconnected correlation function from the correlator and another Corr or Obs object.
      • \n
    • Corr.reweight reweights the correlator.
      • \n
    \n\n
    pyerrors can also handle matrices of correlation functions and extract energy states from these matrices via a generalized eigenvalue problem (see pyerrors.correlators.Corr.GEVP).
    \n\n
    For the full API see pyerrors.correlators.Corr.
    \n\n
    Complex valued observables
    \n\n
    pyerrors can handle complex valued observables via the class pyerrors.obs.CObs.\nCObs are initialized with a real and an imaginary part which both can be Obs valued.
    \n\n
    \n
    my_real_part = pe.Obs([samples1], ['ensemble1'])\nmy_imag_part = pe.Obs([samples2], ['ensemble1'])\n\nmy_cobs = pe.CObs(my_real_part, my_imag_part)\nmy_cobs.gamma_method()\nprint(my_cobs)\n> (0.9959(91)+0.659(28)j)\n
    \n
    \n\n
    Elementary mathematical operations are overloaded and samples are properly propagated as for the Obs class.
    \n\n
    \n
    my_derived_cobs = (my_cobs + my_cobs.conjugate()) / np.abs(my_cobs)\nmy_derived_cobs.gamma_method()\nprint(my_derived_cobs)\n> (1.668(23)+0.0j)\n
    \n
    \n\n
    The Covobs class
    \n\n
    In many projects, auxiliary data that is not based on Monte Carlo chains enters. Examples are experimentally determined mesons masses which are used to set the scale or renormalization constants. These numbers come with an error that has to be propagated through the analysis. The Covobs class allows to define such quantities in pyerrors. Furthermore, external input might consist of correlated quantities. An example are the parameters of an interpolation formula, which are defined via mean values and a covariance matrix between all parameters. The contribution of the interpolation formula to the error of a derived quantity therefore might depend on the complete covariance matrix.
    \n\n
    This concept is built into the definition of Covobs. In pyerrors, external input is defined by $M$ mean values, a $M\\times M$ covariance matrix, where $M=1$ is permissible, and a name that uniquely identifies the covariance matrix. Below, we define the pion mass, based on its mean value and error, 134.9768(5). Note, that the square of the error enters cov_Obs, since the second argument of this function is the covariance matrix of the Covobs.
    \n\n
    \n
    import pyerrors.obs as pe\n\nmpi = pe.cov_Obs(134.9768, 0.0005**2, 'pi^0 mass')\nmpi.gamma_method()\nmpi.details()\n> Result         1.34976800e+02 +/- 5.00000000e-04 +/- 0.00000000e+00 (0.000%)\n>  pi^0 mass     5.00000000e-04\n> 0 samples in 1 ensemble:\n>   \u00b7 Covobs   'pi^0 mass'\n
    \n
    \n\n
    The resulting object mpi is an Obs that contains a Covobs. In the following, it may be handled as any other Obs. The contribution of the covariance matrix to the error of an Obs is determined from the $M \\times M$ covariance matrix $\\Sigma$ and the gradient of the Obs with respect to the external quantities, which is the $1\\times M$ Jacobian matrix $J$, via\n$$s = \\sqrt{J^T \\Sigma J}\\,,$$\nwhere the Jacobian is computed for each derived quantity via automatic differentiation.
    \n\n
    Correlated auxiliary data is defined similarly to above, e.g., via
    \n\n
    \n
    RAP = pe.cov_Obs([16.7457, -19.0475], [[3.49591, -6.07560], [-6.07560, 10.5834]], 'R_AP, 1906.03445, (5.3a)')\nprint(RAP)\n> [Obs[16.7(1.9)], Obs[-19.0(3.3)]]\n
    \n
    \n\n
    where RAP now is a list of two Obs that contains the two correlated parameters.
    \n\n
    Since the gradient of a derived observable with respect to an external covariance matrix is propagated through the entire analysis, the Covobs class allows to quote the derivative of a result with respect to the external quantities. If these derivatives are published together with the result, small shifts in the definition of external quantities, e.g., the definition of the physical point, can be performed a posteriori based on the published information. This may help to compare results of different groups. The gradient of an Obs o with respect to a covariance matrix with the identifying string k may be accessed via
    \n\n
    \n
    o.covobs[k].grad\n
    \n
    \n\n
    Error propagation in iterative algorithms
    \n\n
    pyerrors supports exact linear error propagation for iterative algorithms like various variants of non-linear least squares fits or root finding. The derivatives required for the error propagation are calculated as described in arXiv:1809.01289.
    \n\n
    Least squares fits
    \n\n
    Standard non-linear least square fits with errors on the dependent but not the independent variables can be performed with pyerrors.fits.least_squares. As default solver the Levenberg-Marquardt algorithm implemented in scipy is used.
    \n\n
    Fit functions have to be of the following form
    \n\n
    \n
    import autograd.numpy as anp\n\ndef func(a, x):\n    return a[1] * anp.exp(-a[0] * x)\n
    \n
    \n\n
    It is important that numerical functions refer to autograd.numpy instead of numpy for the automatic differentiation in iterative algorithms to work properly.
    \n\n
    Fits can then be performed via
    \n\n
    \n
    fit_result = pe.fits.least_squares(x, y, func)\nprint("\\n", fit_result)\n> Fit with 2 parameters\n> Method: Levenberg-Marquardt\n> `ftol` termination condition is satisfied.\n> chisquare/d.o.f.: 0.9593035785160936\n\n>  Goodness of fit:\n> \u03c7\u00b2/d.o.f. = 0.959304\n> p-value   = 0.5673\n> Fit parameters:\n> 0      0.0548(28)\n> 1      1.933(64)\n
    \n
    \n\n
    where x is a list or numpy.array of floats and y is a list or numpy.array of Obs.
    \n\n
    Data stored in Corr objects can be fitted directly using the Corr.fit method.
    \n\n
    \n
    my_corr = pe.Corr(y)\nfit_result = my_corr.fit(func, fitrange=[12, 25])\n
    \n
    \n\n
    this can simplify working with absolute fit ranges and takes care of gaps in the data automatically.
    \n\n
    For fit functions with multiple independent variables the fit function can be of the form
    \n\n
    \n
    def func(a, x):\n    (x1, x2) = x\n    return a[0] * x1 ** 2 + a[1] * x2\n
    \n
    \n\n
    pyerrors also supports correlated fits which can be triggered via the parameter correlated_fit=True.\nDetails about how the required covariance matrix is estimated can be found in pyerrors.obs.covariance.
    \n\n
    Direct visualizations of the performed fits can be triggered via resplot=True or qqplot=True. For all available options see pyerrors.fits.least_squares.
    \n\n
    Total least squares fits
    \n\n
    pyerrors can also fit data with errors on both the dependent and independent variables using the total least squares method also referred to orthogonal distance regression as implemented in scipy, see pyerrors.fits.least_squares. The syntax is identical to the standard least squares case, the only difference being that x also has to be a list or numpy.array of Obs.
    \n\n
    For the full API see pyerrors.fits for fits and pyerrors.roots for finding roots of functions.
    \n\n
    Matrix operations
    \n\n
    pyerrors provides wrappers for Obs- and CObs-valued matrix operations based on numpy.linalg. The supported functions include:
    \n\n
      \n
    • inv for the matrix inverse.
      • \n
    • cholseky for the Cholesky decomposition.
      • \n
    • det for the matrix determinant.
      • \n
    • eigh for eigenvalues and eigenvectors of hermitean matrices.
      • \n
    • eig for eigenvalues of general matrices.
      • \n
    • pinv for the Moore-Penrose pseudoinverse.
      • \n
    • svd for the singular-value-decomposition.
      • \n
    \n\n
    For the full API see pyerrors.linalg.
    \n\n
    Export data
    \n\n
    The preferred exported file format within pyerrors is json.gz. Files written to this format are valid JSON files that have been compressed using gzip. The structure of the content is inspired by the dobs format of the ALPHA collaboration. The aim of the format is to facilitate the storage of data in a self-contained way such that, even years after the creation of the file, it is possible to extract all necessary information:
    \n\n
      \n
    • What observables are stored? Possibly: How exactly are they defined.
      • \n
    • How does each single ensemble or external quantity contribute to the error of the observable?
      • \n
    • Who did write the file when and on which machine?
      • \n
    \n\n
    This can be achieved by storing all information in one single file. The export routines of pyerrors are written such that as much information as possible is written automatically as described in the following example
    \n\n
    \n
    my_obs = pe.Obs([samples], ["test_ensemble"])\nmy_obs.tag = "My observable"\n\npe.input.json.dump_to_json(my_obs, "test_output_file", description="This file contains a test observable")\n# For a single observable one can equivalently use the class method dump\nmy_obs.dump("test_output_file", description="This file contains a test observable")\n\ncheck = pe.input.json.load_json("test_output_file")\n\nprint(my_obs == check)\n> True\n
    \n
    \n\n
    The format also allows to directly write out the content of Corr objects or lists and arrays of Obs objects by passing the desired data to pyerrors.input.json.dump_to_json.
    \n\n
    json.gz format specification
    \n\n
    The first entries of the file provide optional auxiliary information:
    \n\n
      \n
    • program is a string that indicates which program was used to write the file.
      • \n
    • version is a string that specifies the version of the format.
      • \n
    • who is a string that specifies the user name of the creator of the file.
      • \n
    • date is a string and contains the creation date of the file.
      • \n
    • host is a string and contains the hostname of the machine where the file has been written.
      • \n
    • description contains information on the content of the file. This field is not filled automatically in pyerrors. The user is advised to provide as detailed information as possible in this field. Examples are: Input files of measurements or simulations, LaTeX formulae or references to publications to specify how the observables have been computed, details on the analysis strategy, ... This field may be any valid JSON type. Strings, arrays or objects (equivalent to dicts in python) are well suited to provide information.
      • \n
    \n\n
    The only necessary entry of the file is the field\n-obsdata, an array that contains the actual data.
    \n\n
    Each entry of the array belongs to a single structure of observables. Currently, these structures can be either of Obs, list, numpy.ndarray, Corr. All Obs inside a structure (with dimension > 0) have to be defined on the same set of configurations. Different structures, that are represented by entries of the array obsdata, are treated independently. Each entry of the array obsdata has the following required entries:
    \n\n
      \n
    • type is a string that specifies the type of the structure. This allows to parse the content to the correct form after reading the file. It is always possible to interpret the content as list of Obs.
      • \n
    • value is an array that contains the mean values of the Obs inside the structure.\nThe following entries are optional:
      • \n
    • layout is a string that specifies the layout of multi-dimensional structures. Examples are \"2, 2\" for a 2x2 dimensional matrix or  \"64, 4, 4\" for a Corr with $T=64$ and 4x4 matrices on each time slices. \"1\" denotes a single Obs. Multi-dimensional structures are stored in row-major format (see below).
      • \n
    • tag is any JSON type. It contains additional information concerning the structure. The tag of an Obs in pyerrors is written here.
      • \n
    • reweighted is a Bool that may be used to specify, whether the Obs in the structure have been reweighted.
      • \n
    • data is an array that contains the data from MC chains. We will define it below.
      • \n
    • cdata is an array that contains the data from external quantities with an error (Covobs in pyerrors). We will define it below.
      • \n
    \n\n
    The array data contains the data from MC chains. Each entry of the array corresponds to one ensemble and contains:
    \n\n
      \n
    • id, a string that contains the name of the ensemble
      • \n
    • replica, an array that contains an entry per replica of the ensemble.
      • \n
    \n\n
    Each entry of replica contains\nname, a string that contains the name of the replica\ndeltas, an array that contains the actual data.
    \n\n
    Each entry in deltas corresponds to one configuration of the replica and has $1+N$ many entries. The first entry is an integer that specifies the configuration number that, together with ensemble and replica name, may be used to uniquely identify the configuration on which the data has been obtained. The following N entries specify the deltas, i.e., the deviation of the observable from the mean value on this configuration, of each Obs inside the structure. Multi-dimensional structures are stored in a row-major format. For primary observables, such as correlation functions, $value + delta_i$ matches the primary data obtained on the configuration.
    \n\n
    The array cdata contains information about the contribution of auxiliary observables, represented by Covobs in pyerrors, to the total error of the observables. Each entry of the array belongs to one auxiliary covariance matrix and contains:
    \n\n
      \n
    • id, a string that identifies the covariance matrix
      • \n
    • layout, a string that defines the dimensions of the $M\\times M$ covariance matrix (has to be \"M, M\" or \"1\").
      • \n
    • cov, an array that contains the $M\\times M$ many entries of the covariance matrix, stored in row-major format.
      • \n
    • grad, an array that contains N entries, one for each Obs inside the structure. Each entry itself is an array, that contains the M gradients of the Nth observable  with respect to the quantity that corresponds to the Mth diagonal entry of the covariance matrix.
      • \n
    \n\n
    A JSON schema that may be used to verify the correctness of a file with respect to the format definition is stored in ./examples/json_schema.json. The schema is a self-descriptive format definition and contains an exemplary file.
    \n\n
    Julia I/O routines for the json.gz format, compatible with ADerrors.jl, can be found here.
    \n"}, "pyerrors.correlators": {"fullname": "pyerrors.correlators", "modulename": "pyerrors.correlators", "type": "module", "doc": "
    \n"}, "pyerrors.correlators.Corr": {"fullname": "pyerrors.correlators.Corr", "modulename": "pyerrors.correlators", "qualname": "Corr", "type": "class", "doc": "
    The class for a correlator (time dependent sequence of pe.Obs).
    \n\n
    Everything, this class does, can be achieved using lists or arrays of Obs.\nBut it is simply more convenient to have a dedicated object for correlators.\nOne often wants to add or multiply correlators of the same length at every timeslice and it is inconvenient\nto iterate over all timeslices for every operation. This is especially true, when dealing with matrices.
    \n\n
    The correlator can have two types of content: An Obs at every timeslice OR a GEVP\nmatrix at every timeslice. Other dependency (eg. spatial) are not supported.
    \n"}, "pyerrors.correlators.Corr.__init__": {"fullname": "pyerrors.correlators.Corr.__init__", "modulename": "pyerrors.correlators", "qualname": "Corr.__init__", "type": "function", "doc": "
    Initialize a Corr object.
    \n\n
    Parameters
    \n\n
      \n
    • data_input (list or array):\nlist of Obs or list of arrays of Obs or array of Corrs
      • \n
    • padding (list, optional):\nList with two entries where the first labels the padding\nat the front of the correlator and the second the padding\nat the back.
      • \n
    • prange (list, optional):\nList containing the first and last timeslice of the plateau\nregion indentified for this correlator.
      • \n
    \n", "signature": "(data_input, padding=[0, 0], prange=None)"}, "pyerrors.correlators.Corr.gamma_method": {"fullname": "pyerrors.correlators.Corr.gamma_method", "modulename": "pyerrors.correlators", "qualname": "Corr.gamma_method", "type": "function", "doc": "
    Apply the gamma method to the content of the Corr.
    \n", "signature": "(self, **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.projected": {"fullname": "pyerrors.correlators.Corr.projected", "modulename": "pyerrors.correlators", "qualname": "Corr.projected", "type": "function", "doc": "
    We need to project the Correlator with a Vector to get a single value at each timeslice.
    \n\n
    The method can use one or two vectors.\nIf two are specified it returns v1@G@v2 (the order might be very important.)\nBy default it will return the lowest source, which usually means unsmeared-unsmeared (0,0), but it does not have to
    \n", "signature": "(self, vector_l=None, vector_r=None, normalize=False):", "funcdef": "def"}, "pyerrors.correlators.Corr.item": {"fullname": "pyerrors.correlators.Corr.item", "modulename": "pyerrors.correlators", "qualname": "Corr.item", "type": "function", "doc": "
    Picks the element [i,j] from every matrix and returns a correlator containing one Obs per timeslice.
    \n\n
    Parameters
    \n\n
      \n
    • i (int):\nFirst index to be picked.
      • \n
    • j (int):\nSecond index to be picked.
      • \n
    \n", "signature": "(self, i, j):", "funcdef": "def"}, "pyerrors.correlators.Corr.plottable": {"fullname": "pyerrors.correlators.Corr.plottable", "modulename": "pyerrors.correlators", "qualname": "Corr.plottable", "type": "function", "doc": "
    Outputs the correlator in a plotable format.
    \n\n
    Outputs three lists containing the timeslice index, the value on each\ntimeslice and the error on each timeslice.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.symmetric": {"fullname": "pyerrors.correlators.Corr.symmetric", "modulename": "pyerrors.correlators", "qualname": "Corr.symmetric", "type": "function", "doc": "
    Symmetrize the correlator around x0=0.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.anti_symmetric": {"fullname": "pyerrors.correlators.Corr.anti_symmetric", "modulename": "pyerrors.correlators", "qualname": "Corr.anti_symmetric", "type": "function", "doc": "
    Anti-symmetrize the correlator around x0=0.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.is_matrix_symmetric": {"fullname": "pyerrors.correlators.Corr.is_matrix_symmetric", "modulename": "pyerrors.correlators", "qualname": "Corr.is_matrix_symmetric", "type": "function", "doc": "
    Checks whether a correlator matrices is symmetric on every timeslice.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.matrix_symmetric": {"fullname": "pyerrors.correlators.Corr.matrix_symmetric", "modulename": "pyerrors.correlators", "qualname": "Corr.matrix_symmetric", "type": "function", "doc": "
    Symmetrizes the correlator matrices on every timeslice.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.GEVP": {"fullname": "pyerrors.correlators.Corr.GEVP", "modulename": "pyerrors.correlators", "qualname": "Corr.GEVP", "type": "function", "doc": "
    Solve the generalized eigenvalue problem on the correlator matrix and returns the corresponding eigenvectors.
    \n\n
    The eigenvectors are sorted according to the descending eigenvalues, the zeroth eigenvector(s) correspond to the\nlargest eigenvalue(s). The eigenvector(s) for the individual states can be accessed via slicing
    \n\n
    \n
    C.GEVP(t0=2)[0]  # Ground state vector(s)\nC.GEVP(t0=2)[:3]  # Vectors for the lowest three states\n
    \n
    \n\n
    Parameters
    \n\n
      \n
    • t0 (int):\nThe time t0 for the right hand side of the GEVP according to $G(t)v_i=\\lambda_i G(t_0)v_i$
      • \n
    • ts (int):\nfixed time $G(t_s)v_i=\\lambda_i G(t_0)v_i$ if sort=None.\nIf sort=\"Eigenvector\" it gives a reference point for the sorting method.
      • \n
    • sort (string):\nIf this argument is set, a list of self.T vectors per state is returned. If it is set to None, only one vector is returned.\n
        \n
      • \"Eigenvalue\": The eigenvector is chosen according to which eigenvalue it belongs individually on every timeslice.
        • \n
      • \"Eigenvector\": Use the method described in arXiv:2004.10472 to find the set of v(t) belonging to the state.\nThe reference state is identified by its eigenvalue at $t=t_s$.
        • \n
      • \n
    \n\n
    Other Parameters
    \n\n
      \n
    • state (int):\nReturns only the vector(s) for a specified state. The lowest state is zero.
      • \n
    \n", "signature": "(self, t0, ts=None, sort='Eigenvalue', **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.Eigenvalue": {"fullname": "pyerrors.correlators.Corr.Eigenvalue", "modulename": "pyerrors.correlators", "qualname": "Corr.Eigenvalue", "type": "function", "doc": "
    Determines the eigenvalue of the GEVP by solving and projecting the correlator
    \n\n
    Parameters
    \n\n
      \n
    • state (int):\nThe state one is interested in ordered by energy. The lowest state is zero.
      • \n
    • All other parameters are identical to the ones of Corr.GEVP.
      • \n
    \n", "signature": "(self, t0, ts=None, state=0, sort='Eigenvalue'):", "funcdef": "def"}, "pyerrors.correlators.Corr.Hankel": {"fullname": "pyerrors.correlators.Corr.Hankel", "modulename": "pyerrors.correlators", "qualname": "Corr.Hankel", "type": "function", "doc": "
    Constructs an NxN Hankel matrix
    \n\n
    C(t) c(t+1) ... c(t+n-1)\nC(t+1) c(t+2) ... c(t+n)\n.................\nC(t+(n-1)) c(t+n) ... c(t+2(n-1))
    \n\n
    Parameters
    \n\n
      \n
    • N (int):\nDimension of the Hankel matrix
      • \n
    • periodic (bool, optional):\ndetermines whether the matrix is extended periodically
      • \n
    \n", "signature": "(self, N, periodic=False):", "funcdef": "def"}, "pyerrors.correlators.Corr.roll": {"fullname": "pyerrors.correlators.Corr.roll", "modulename": "pyerrors.correlators", "qualname": "Corr.roll", "type": "function", "doc": "
    Periodically shift the correlator by dt timeslices
    \n\n
    Parameters
    \n\n
      \n
    • dt (int):\nnumber of timeslices
      • \n
    \n", "signature": "(self, dt):", "funcdef": "def"}, "pyerrors.correlators.Corr.reverse": {"fullname": "pyerrors.correlators.Corr.reverse", "modulename": "pyerrors.correlators", "qualname": "Corr.reverse", "type": "function", "doc": "
    Reverse the time ordering of the Corr
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.thin": {"fullname": "pyerrors.correlators.Corr.thin", "modulename": "pyerrors.correlators", "qualname": "Corr.thin", "type": "function", "doc": "
    Thin out a correlator to suppress correlations
    \n\n
    Parameters
    \n\n
      \n
    • spacing (int):\nKeep only every 'spacing'th entry of the correlator
      • \n
    • offset (int):\nOffset the equal spacing
      • \n
    \n", "signature": "(self, spacing=2, offset=0):", "funcdef": "def"}, "pyerrors.correlators.Corr.correlate": {"fullname": "pyerrors.correlators.Corr.correlate", "modulename": "pyerrors.correlators", "qualname": "Corr.correlate", "type": "function", "doc": "
    Correlate the correlator with another correlator or Obs
    \n\n
    Parameters
    \n\n
      \n
    • partner (Obs or Corr):\npartner to correlate the correlator with.\nCan either be an Obs which is correlated with all entries of the\ncorrelator or a Corr of same length.
      • \n
    \n", "signature": "(self, partner):", "funcdef": "def"}, "pyerrors.correlators.Corr.reweight": {"fullname": "pyerrors.correlators.Corr.reweight", "modulename": "pyerrors.correlators", "qualname": "Corr.reweight", "type": "function", "doc": "
    Reweight the correlator.
    \n\n
    Parameters
    \n\n
      \n
    • weight (Obs):\nReweighting factor. An Observable that has to be defined on a superset of the\nconfigurations in obs[i].idl for all i.
      • \n
    • all_configs (bool):\nif True, the reweighted observables are normalized by the average of\nthe reweighting factor on all configurations in weight.idl and not\non the configurations in obs[i].idl.
      • \n
    \n", "signature": "(self, weight, **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.T_symmetry": {"fullname": "pyerrors.correlators.Corr.T_symmetry", "modulename": "pyerrors.correlators", "qualname": "Corr.T_symmetry", "type": "function", "doc": "
    Return the time symmetry average of the correlator and its partner
    \n\n
    Parameters
    \n\n
      \n
    • partner (Corr):\nTime symmetry partner of the Corr
      • \n
    • partity (int):\nParity quantum number of the correlator, can be +1 or -1
      • \n
    \n", "signature": "(self, partner, parity=1):", "funcdef": "def"}, "pyerrors.correlators.Corr.deriv": {"fullname": "pyerrors.correlators.Corr.deriv", "modulename": "pyerrors.correlators", "qualname": "Corr.deriv", "type": "function", "doc": "
    Return the first derivative of the correlator with respect to x0.
    \n\n
    Parameters
    \n\n
      \n
    • variant (str):\ndecides which definition of the finite differences derivative is used.\nAvailable choice: symmetric, forward, backward, improved, default: symmetric
      • \n
    \n", "signature": "(self, variant='symmetric'):", "funcdef": "def"}, "pyerrors.correlators.Corr.second_deriv": {"fullname": "pyerrors.correlators.Corr.second_deriv", "modulename": "pyerrors.correlators", "qualname": "Corr.second_deriv", "type": "function", "doc": "
    Return the second derivative of the correlator with respect to x0.
    \n\n
    Parameters
    \n\n
      \n
    • variant (str):\ndecides which definition of the finite differences derivative is used.\nAvailable choice: symmetric, improved, default: symmetric
      • \n
    \n", "signature": "(self, variant='symmetric'):", "funcdef": "def"}, "pyerrors.correlators.Corr.m_eff": {"fullname": "pyerrors.correlators.Corr.m_eff", "modulename": "pyerrors.correlators", "qualname": "Corr.m_eff", "type": "function", "doc": "
    Returns the effective mass of the correlator as correlator object
    \n\n
    Parameters
    \n\n
      \n
    • variant (str):\nlog : uses the standard effective mass log(C(t) / C(t+1))\ncosh, periodic : Use periodicitiy of the correlator by solving C(t) / C(t+1) = cosh(m * (t - T/2)) / cosh(m * (t + 1 - T/2)) for m.\nsinh : Use anti-periodicitiy of the correlator by solving C(t) / C(t+1) = sinh(m * (t - T/2)) / sinh(m * (t + 1 - T/2)) for m.\nSee, e.g., arXiv:1205.5380\narccosh : Uses the explicit form of the symmetrized correlator (not recommended)
      • \n
    • guess (float):\nguess for the root finder, only relevant for the root variant
      • \n
    \n", "signature": "(self, variant='log', guess=1.0):", "funcdef": "def"}, "pyerrors.correlators.Corr.fit": {"fullname": "pyerrors.correlators.Corr.fit", "modulename": "pyerrors.correlators", "qualname": "Corr.fit", "type": "function", "doc": "
    Fits function to the data
    \n\n
    Parameters
    \n\n
      \n
    • function (obj):\nfunction to fit to the data. See fits.least_squares for details.
      • \n
    • fitrange (list):\nTwo element list containing the timeslices on which the fit is supposed to start and stop.\nCaution: This range is inclusive as opposed to standard python indexing.\nfitrange=[4, 6] corresponds to the three entries 4, 5 and 6.\nIf not specified, self.prange or all timeslices are used.
      • \n
    • silent (bool):\nDecides whether output is printed to the standard output.
      • \n
    \n", "signature": "(self, function, fitrange=None, silent=False, **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.plateau": {"fullname": "pyerrors.correlators.Corr.plateau", "modulename": "pyerrors.correlators", "qualname": "Corr.plateau", "type": "function", "doc": "
    Extract a plateau value from a Corr object
    \n\n
    Parameters
    \n\n
      \n
    • plateau_range (list):\nlist with two entries, indicating the first and the last timeslice\nof the plateau region.
      • \n
    • method (str):\nmethod to extract the plateau.\n    'fit' fits a constant to the plateau region\n    'avg', 'average' or 'mean' just average over the given timeslices.
      • \n
    • auto_gamma (bool):\napply gamma_method with default parameters to the Corr. Defaults to None
      • \n
    \n", "signature": "(self, plateau_range=None, method='fit', auto_gamma=False):", "funcdef": "def"}, "pyerrors.correlators.Corr.set_prange": {"fullname": "pyerrors.correlators.Corr.set_prange", "modulename": "pyerrors.correlators", "qualname": "Corr.set_prange", "type": "function", "doc": "
    Sets the attribute prange of the Corr object.
    \n", "signature": "(self, prange):", "funcdef": "def"}, "pyerrors.correlators.Corr.show": {"fullname": "pyerrors.correlators.Corr.show", "modulename": "pyerrors.correlators", "qualname": "Corr.show", "type": "function", "doc": "
    Plots the correlator using the tag of the correlator as label if available.
    \n\n
    Parameters
    \n\n
      \n
    • x_range (list):\nlist of two values, determining the range of the x-axis e.g. [4, 8].
      • \n
    • comp (Corr or list of Corr):\nCorrelator or list of correlators which are plotted for comparison.\nThe tags of these correlators are used as labels if available.
      • \n
    • logscale (bool):\nSets y-axis to logscale.
      • \n
    • plateau (Obs):\nPlateau value to be visualized in the figure.
      • \n
    • fit_res (Fit_result):\nFit_result object to be visualized.
      • \n
    • ylabel (str):\nLabel for the y-axis.
      • \n
    • save (str):\npath to file in which the figure should be saved.
      • \n
    • auto_gamma (bool):\nApply the gamma method with standard parameters to all correlators and plateau values before plotting.
      • \n
    • hide_sigma (float):\nHides data points from the first value on which is consistent with zero within 'hide_sigma' standard errors.
      • \n
    • references (list):\nList of floating point values that are displayed as horizontal lines for reference.
      • \n
    • title (string):\nOptional title of the figure.
      • \n
    \n", "signature": "(\tself,\tx_range=None,\tcomp=None,\ty_range=None,\tlogscale=False,\tplateau=None,\tfit_res=None,\tylabel=None,\tsave=None,\tauto_gamma=False,\thide_sigma=None,\treferences=None,\ttitle=None):", "funcdef": "def"}, "pyerrors.correlators.Corr.spaghetti_plot": {"fullname": "pyerrors.correlators.Corr.spaghetti_plot", "modulename": "pyerrors.correlators", "qualname": "Corr.spaghetti_plot", "type": "function", "doc": "
    Produces a spaghetti plot of the correlator suited to monitor exceptional configurations.
    \n\n
    Parameters
    \n\n
      \n
    • logscale (bool):\nDetermines whether the scale of the y-axis is logarithmic or standard.
      • \n
    \n", "signature": "(self, logscale=True):", "funcdef": "def"}, "pyerrors.correlators.Corr.dump": {"fullname": "pyerrors.correlators.Corr.dump", "modulename": "pyerrors.correlators", "qualname": "Corr.dump", "type": "function", "doc": "
    Dumps the Corr into a file of chosen type
    \n\n
    Parameters
    \n\n
      \n
    • filename (str):\nName of the file to be saved.
      • \n
    • datatype (str):\nFormat of the exported file. Supported formats include\n\"json.gz\" and \"pickle\"
      • \n
    • path (str):\nspecifies a custom path for the file (default '.')
      • \n
    \n", "signature": "(self, filename, datatype='json.gz', **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.print": {"fullname": "pyerrors.correlators.Corr.print", "modulename": "pyerrors.correlators", "qualname": "Corr.print", "type": "function", "doc": "
    \n", "signature": "(self, print_range=None):", "funcdef": "def"}, "pyerrors.correlators.Corr.sqrt": {"fullname": "pyerrors.correlators.Corr.sqrt", "modulename": "pyerrors.correlators", "qualname": "Corr.sqrt", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.log": {"fullname": "pyerrors.correlators.Corr.log", "modulename": "pyerrors.correlators", "qualname": "Corr.log", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.exp": {"fullname": "pyerrors.correlators.Corr.exp", "modulename": "pyerrors.correlators", "qualname": "Corr.exp", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.sin": {"fullname": "pyerrors.correlators.Corr.sin", "modulename": "pyerrors.correlators", "qualname": "Corr.sin", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.cos": {"fullname": "pyerrors.correlators.Corr.cos", "modulename": "pyerrors.correlators", "qualname": "Corr.cos", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.tan": {"fullname": "pyerrors.correlators.Corr.tan", "modulename": "pyerrors.correlators", "qualname": "Corr.tan", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.sinh": {"fullname": "pyerrors.correlators.Corr.sinh", "modulename": "pyerrors.correlators", "qualname": "Corr.sinh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.cosh": {"fullname": "pyerrors.correlators.Corr.cosh", "modulename": "pyerrors.correlators", "qualname": "Corr.cosh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.tanh": {"fullname": "pyerrors.correlators.Corr.tanh", "modulename": "pyerrors.correlators", "qualname": "Corr.tanh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arcsin": {"fullname": "pyerrors.correlators.Corr.arcsin", "modulename": "pyerrors.correlators", "qualname": "Corr.arcsin", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arccos": {"fullname": "pyerrors.correlators.Corr.arccos", "modulename": "pyerrors.correlators", "qualname": "Corr.arccos", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arctan": {"fullname": "pyerrors.correlators.Corr.arctan", "modulename": "pyerrors.correlators", "qualname": "Corr.arctan", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arcsinh": {"fullname": "pyerrors.correlators.Corr.arcsinh", "modulename": "pyerrors.correlators", "qualname": "Corr.arcsinh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arccosh": {"fullname": "pyerrors.correlators.Corr.arccosh", "modulename": "pyerrors.correlators", "qualname": "Corr.arccosh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arctanh": {"fullname": "pyerrors.correlators.Corr.arctanh", "modulename": "pyerrors.correlators", "qualname": "Corr.arctanh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.prune": {"fullname": "pyerrors.correlators.Corr.prune", "modulename": "pyerrors.correlators", "qualname": "Corr.prune", "type": "function", "doc": "
    Project large correlation matrix to lowest states
    \n\n
    This method can be used to reduce the size of an (N x N) correlation matrix\nto (Ntrunc x Ntrunc) by solving a GEVP at very early times where the noise\nis still small.
    \n\n
    Parameters
    \n\n
      \n
    • Ntrunc (int):\nRank of the target matrix.
      • \n
    • tproj (int):\nTime where the eigenvectors are evaluated, corresponds to ts in the GEVP method.\nThe default value is 3.
      • \n
    • t0proj (int):\nTime where the correlation matrix is inverted. Choosing t0proj=1 is strongly\ndiscouraged for O(a) improved theories, since the correctness of the procedure\ncannot be granted in this case. The default value is 2.
      • \n
    • basematrix (Corr):\nCorrelation matrix that is used to determine the eigenvectors of the\nlowest states based on a GEVP. basematrix is taken to be the Corr itself if\nis is not specified.
      • \n
    \n\n
    Notes
    \n\n
    We have the basematrix $C(t)$ and the target matrix $G(t)$. We start by solving\nthe GEVP $$C(t) v_n(t, t_0) = \\lambda_n(t, t_0) C(t_0) v_n(t, t_0)$$ where $t \\equiv t_\\mathrm{proj}$\nand $t_0 \\equiv t_{0, \\mathrm{proj}}$. The target matrix is projected onto the subspace of the\nresulting eigenvectors $v_n, n=1,\\dots,N_\\mathrm{trunc}$ via\n$$G^\\prime_{i, j}(t) = (v_i, G(t) v_j)$$. This allows to reduce the size of a large\ncorrelation matrix and to remove some noise that is added by irrelevant operators.\nThis may allow to use the GEVP on $G(t)$ at late times such that the theoretically motivated\nbound $t_0 \\leq t/2$ holds, since the condition number of $G(t)$ is decreased, compared to $C(t)$.
    \n", "signature": "(self, Ntrunc, tproj=3, t0proj=2, basematrix=None):", "funcdef": "def"}, "pyerrors.covobs": {"fullname": "pyerrors.covobs", "modulename": "pyerrors.covobs", "type": "module", "doc": "
    \n"}, "pyerrors.covobs.Covobs": {"fullname": "pyerrors.covobs.Covobs", "modulename": "pyerrors.covobs", "qualname": "Covobs", "type": "class", "doc": "
    \n"}, "pyerrors.covobs.Covobs.__init__": {"fullname": "pyerrors.covobs.Covobs.__init__", "modulename": "pyerrors.covobs", "qualname": "Covobs.__init__", "type": "function", "doc": "
    Initialize Covobs object.
    \n\n
    Parameters
    \n\n
      \n
    • mean (float):\nMean value of the new Obs
      • \n
    • cov (list or array):\n2d Covariance matrix or 1d diagonal entries
      • \n
    • name (str):\nidentifier for the covariance matrix
      • \n
    • pos (int):\nPosition of the variance belonging to mean in cov.\nIs taken to be 1 if cov is 0-dimensional
      • \n
    • grad (list or array):\nGradient of the Covobs wrt. the means belonging to cov.
      • \n
    \n", "signature": "(mean, cov, name, pos=None, grad=None)"}, "pyerrors.covobs.Covobs.errsq": {"fullname": "pyerrors.covobs.Covobs.errsq", "modulename": "pyerrors.covobs", "qualname": "Covobs.errsq", "type": "function", "doc": "
    Return the variance (= square of the error) of the Covobs
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.dirac": {"fullname": "pyerrors.dirac", "modulename": "pyerrors.dirac", "type": "module", "doc": "
    \n"}, "pyerrors.dirac.epsilon_tensor": {"fullname": "pyerrors.dirac.epsilon_tensor", "modulename": "pyerrors.dirac", "qualname": "epsilon_tensor", "type": "function", "doc": "
    Rank-3 epsilon tensor
    \n\n
    Based on https://codegolf.stackexchange.com/a/160375
    \n", "signature": "(i, j, k):", "funcdef": "def"}, "pyerrors.dirac.epsilon_tensor_rank4": {"fullname": "pyerrors.dirac.epsilon_tensor_rank4", "modulename": "pyerrors.dirac", "qualname": "epsilon_tensor_rank4", "type": "function", "doc": "
    Rank-4 epsilon tensor
    \n\n
    Extension of https://codegolf.stackexchange.com/a/160375
    \n", "signature": "(i, j, k, o):", "funcdef": "def"}, "pyerrors.dirac.Grid_gamma": {"fullname": "pyerrors.dirac.Grid_gamma", "modulename": "pyerrors.dirac", "qualname": "Grid_gamma", "type": "function", "doc": "
    Returns gamma matrix in Grid labeling.
    \n", "signature": "(gamma_tag):", "funcdef": "def"}, "pyerrors.fits": {"fullname": "pyerrors.fits", "modulename": "pyerrors.fits", "type": "module", "doc": "
    \n"}, "pyerrors.fits.Fit_result": {"fullname": "pyerrors.fits.Fit_result", "modulename": "pyerrors.fits", "qualname": "Fit_result", "type": "class", "doc": "
    Represents fit results.
    \n\n
    Attributes
    \n\n
      \n
    • fit_parameters (list):\nresults for the individual fit parameters,\nalso accessible via indices.
      • \n
    \n", "bases": "collections.abc.Sequence"}, "pyerrors.fits.Fit_result.__init__": {"fullname": "pyerrors.fits.Fit_result.__init__", "modulename": "pyerrors.fits", "qualname": "Fit_result.__init__", "type": "function", "doc": "
    \n", "signature": "()"}, "pyerrors.fits.Fit_result.gamma_method": {"fullname": "pyerrors.fits.Fit_result.gamma_method", "modulename": "pyerrors.fits", "qualname": "Fit_result.gamma_method", "type": "function", "doc": "
    Apply the gamma method to all fit parameters
    \n", "signature": "(self, **kwargs):", "funcdef": "def"}, "pyerrors.fits.least_squares": {"fullname": "pyerrors.fits.least_squares", "modulename": "pyerrors.fits", "qualname": "least_squares", "type": "function", "doc": "
    Performs a non-linear fit to y = func(x).
    \n\n
    Parameters
    \n\n
      \n
    • x (list):\nlist of floats.
      • \n
    • y (list):\nlist of Obs.
      • \n
    • func (object):\nfit function, has to be of the form
      \n\n
      \n
      import autograd.numpy as anp\n\ndef func(a, x):\n   return a[0] + a[1] * x + a[2] * anp.sinh(x)\n
      \n
      \n\n
      For multiple x values func can be of the form
      \n\n
      \n
      def func(a, x):\n   (x1, x2) = x\n   return a[0] * x1 ** 2 + a[1] * x2\n
      \n
      \n\n
      It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation\nwill not work.
      • \n
    • priors (list, optional):\npriors has to be a list with an entry for every parameter in the fit. The entries can either be\nObs (e.g. results from a previous fit) or strings containing a value and an error formatted like\n0.548(23), 500(40) or 0.5(0.4)
      • \n
    • silent (bool, optional):\nIf true all output to the console is omitted (default False).
      • \n
    • initial_guess (list):\ncan provide an initial guess for the input parameters. Relevant for\nnon-linear fits with many parameters. In case of correlated fits the guess is used to perform\nan uncorrelated fit which then serves as guess for the correlated fit.
      • \n
    • method (str, optional):\ncan be used to choose an alternative method for the minimization of chisquare.\nThe possible methods are the ones which can be used for scipy.optimize.minimize and\nmigrad of iminuit. If no method is specified, Levenberg-Marquard is used.\nReliable alternatives are migrad, Powell and Nelder-Mead.
      • \n
    • correlated_fit (bool):\nIf True, use the full inverse covariance matrix in the definition of the chisquare cost function.\nFor details about how the covariance matrix is estimated see pyerrors.obs.covariance.\nIn practice the correlation matrix is Cholesky decomposed and inverted (instead of the covariance matrix).\nThis procedure should be numerically more stable as the correlation matrix is typically better conditioned (Jacobi preconditioning).\nAt the moment this option only works for prior==None and when no method is given.
      • \n
    • expected_chisquare (bool):\nIf True estimates the expected chisquare which is\ncorrected by effects caused by correlated input data (default False).
      • \n
    • resplot (bool):\nIf True, a plot which displays fit, data and residuals is generated (default False).
      • \n
    • qqplot (bool):\nIf True, a quantile-quantile plot of the fit result is generated (default False).
      • \n
    \n", "signature": "(x, y, func, priors=None, silent=False, **kwargs):", "funcdef": "def"}, "pyerrors.fits.total_least_squares": {"fullname": "pyerrors.fits.total_least_squares", "modulename": "pyerrors.fits", "qualname": "total_least_squares", "type": "function", "doc": "
    Performs a non-linear fit to y = func(x) and returns a list of Obs corresponding to the fit parameters.
    \n\n
    Parameters
    \n\n
      \n
    • x (list):\nlist of Obs, or a tuple of lists of Obs
      • \n
    • y (list):\nlist of Obs. The dvalues of the Obs are used as x- and yerror for the fit.
      • \n
    • func (object):\nfunc has to be of the form
      \n\n
      \n
      import autograd.numpy as anp\n\ndef func(a, x):\n   return a[0] + a[1] * x + a[2] * anp.sinh(x)\n
      \n
      \n\n
      For multiple x values func can be of the form
      \n\n
      \n
      def func(a, x):\n   (x1, x2) = x\n   return a[0] * x1 ** 2 + a[1] * x2\n
      \n
      \n\n
      It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation\nwill not work.
      • \n
    • silent (bool, optional):\nIf true all output to the console is omitted (default False).
      • \n
    • initial_guess (list):\ncan provide an initial guess for the input parameters. Relevant for non-linear\nfits with many parameters.
      • \n
    • expected_chisquare (bool):\nIf true prints the expected chisquare which is\ncorrected by effects caused by correlated input data.\nThis can take a while as the full correlation matrix\nhas to be calculated (default False).
      • \n
    \n\n
    Notes
    \n\n
    Based on the orthogonal distance regression module of scipy
    \n", "signature": "(x, y, func, silent=False, **kwargs):", "funcdef": "def"}, "pyerrors.fits.fit_lin": {"fullname": "pyerrors.fits.fit_lin", "modulename": "pyerrors.fits", "qualname": "fit_lin", "type": "function", "doc": "
    Performs a linear fit to y = n + m * x and returns two Obs n, m.
    \n\n
    Parameters
    \n\n
      \n
    • x (list):\nCan either be a list of floats in which case no xerror is assumed, or\na list of Obs, where the dvalues of the Obs are used as xerror for the fit.
      • \n
    • y (list):\nList of Obs, the dvalues of the Obs are used as yerror for the fit.
      • \n
    \n", "signature": "(x, y, **kwargs):", "funcdef": "def"}, "pyerrors.fits.qqplot": {"fullname": "pyerrors.fits.qqplot", "modulename": "pyerrors.fits", "qualname": "qqplot", "type": "function", "doc": "
    Generates a quantile-quantile plot of the fit result which can be used to\ncheck if the residuals of the fit are gaussian distributed.
    \n", "signature": "(x, o_y, func, p):", "funcdef": "def"}, "pyerrors.fits.residual_plot": {"fullname": "pyerrors.fits.residual_plot", "modulename": "pyerrors.fits", "qualname": "residual_plot", "type": "function", "doc": "
    Generates a plot which compares the fit to the data and displays the corresponding residuals
    \n", "signature": "(x, y, func, fit_res):", "funcdef": "def"}, "pyerrors.fits.error_band": {"fullname": "pyerrors.fits.error_band", "modulename": "pyerrors.fits", "qualname": "error_band", "type": "function", "doc": "
    Returns the error band for an array of sample values x, for given fit function func with optimized parameters beta.
    \n", "signature": "(x, func, beta):", "funcdef": "def"}, "pyerrors.fits.ks_test": {"fullname": "pyerrors.fits.ks_test", "modulename": "pyerrors.fits", "qualname": "ks_test", "type": "function", "doc": "
    Performs a Kolmogorov\u2013Smirnov test for the p-values of all fit object.
    \n\n
    Parameters
    \n\n
      \n
    • objects (list):\nList of fit results to include in the analysis (optional).
      • \n
    \n", "signature": "(objects=None):", "funcdef": "def"}, "pyerrors.input": {"fullname": "pyerrors.input", "modulename": "pyerrors.input", "type": "module", "doc": "
    pyerrors includes an input submodule in which input routines and parsers for the output of various numerical programs are contained.
    \n\n
    Jackknife samples
    \n\n
    For comparison with other analysis workflows pyerrors can also generate jackknife samples from an Obs object or import jackknife samples into an Obs object.\nSee pyerrors.obs.Obs.export_jackknife and pyerrors.obs.import_jackknife for details.
    \n"}, "pyerrors.input.bdio": {"fullname": "pyerrors.input.bdio", "modulename": "pyerrors.input.bdio", "type": "module", "doc": "
    \n"}, "pyerrors.input.bdio.read_ADerrors": {"fullname": "pyerrors.input.bdio.read_ADerrors", "modulename": "pyerrors.input.bdio", "qualname": "read_ADerrors", "type": "function", "doc": "
    Extract generic MCMC data from a bdio file
    \n\n
    read_ADerrors requires bdio to be compiled into a shared library. This can be achieved by\nadding the flag -fPIC to CC and changing the all target to
    \n\n
    all:                bdio.o $(LIBDIR)\n            gcc -shared -Wl,-soname,libbdio.so -o $(BUILDDIR)/libbdio.so $(BUILDDIR)/bdio.o\n            cp $(BUILDDIR)/libbdio.so $(LIBDIR)/
    \n\n
    Parameters
    \n\n
      \n
    • file_path -- path to the bdio file
      • \n
    • bdio_path -- path to the shared bdio library libbdio.so (default ./libbdio.so)
      • \n
    \n", "signature": "(file_path, bdio_path='./libbdio.so', **kwargs):", "funcdef": "def"}, "pyerrors.input.bdio.write_ADerrors": {"fullname": "pyerrors.input.bdio.write_ADerrors", "modulename": "pyerrors.input.bdio", "qualname": "write_ADerrors", "type": "function", "doc": "
    Write Obs to a bdio file according to ADerrors conventions
    \n\n
    read_mesons requires bdio to be compiled into a shared library. This can be achieved by\nadding the flag -fPIC to CC and changing the all target to
    \n\n
    all:                bdio.o $(LIBDIR)\n            gcc -shared -Wl,-soname,libbdio.so -o $(BUILDDIR)/libbdio.so $(BUILDDIR)/bdio.o\n            cp $(BUILDDIR)/libbdio.so $(LIBDIR)/
    \n\n
    Parameters
    \n\n
      \n
    • file_path -- path to the bdio file
      • \n
    • bdio_path -- path to the shared bdio library libbdio.so (default ./libbdio.so)
      • \n
    \n", "signature": "(obs_list, file_path, bdio_path='./libbdio.so', **kwargs):", "funcdef": "def"}, "pyerrors.input.bdio.read_mesons": {"fullname": "pyerrors.input.bdio.read_mesons", "modulename": "pyerrors.input.bdio", "qualname": "read_mesons", "type": "function", "doc": "
    Extract mesons data from a bdio file and return it as a dictionary
    \n\n
    The dictionary can be accessed with a tuple consisting of (type, source_position, kappa1, kappa2)
    \n\n
    read_mesons requires bdio to be compiled into a shared library. This can be achieved by\nadding the flag -fPIC to CC and changing the all target to
    \n\n
    all:                bdio.o $(LIBDIR)\n            gcc -shared -Wl,-soname,libbdio.so -o $(BUILDDIR)/libbdio.so $(BUILDDIR)/bdio.o\n            cp $(BUILDDIR)/libbdio.so $(LIBDIR)/
    \n\n
    Parameters
    \n\n
      \n
    • file_path (str):\npath to the bdio file
      • \n
    • bdio_path (str):\npath to the shared bdio library libbdio.so (default ./libbdio.so)
      • \n
    • start (int):\nThe first configuration to be read (default 1)
      • \n
    • stop (int):\nThe last configuration to be read (default None)
      • \n
    • step (int):\nFixed step size between two measurements (default 1)
      • \n
    • alternative_ensemble_name (str):\nManually overwrite ensemble name
      • \n
    \n", "signature": "(file_path, bdio_path='./libbdio.so', **kwargs):", "funcdef": "def"}, "pyerrors.input.bdio.read_dSdm": {"fullname": "pyerrors.input.bdio.read_dSdm", "modulename": "pyerrors.input.bdio", "qualname": "read_dSdm", "type": "function", "doc": "
    Extract dSdm data from a bdio file and return it as a dictionary
    \n\n
    The dictionary can be accessed with a tuple consisting of (type, kappa)
    \n\n
    read_dSdm requires bdio to be compiled into a shared library. This can be achieved by\nadding the flag -fPIC to CC and changing the all target to
    \n\n
    all:                bdio.o $(LIBDIR)\n            gcc -shared -Wl,-soname,libbdio.so -o $(BUILDDIR)/libbdio.so $(BUILDDIR)/bdio.o\n            cp $(BUILDDIR)/libbdio.so $(LIBDIR)/
    \n\n
    Parameters
    \n\n
      \n
    • file_path (str):\npath to the bdio file
      • \n
    • bdio_path (str):\npath to the shared bdio library libbdio.so (default ./libbdio.so)
      • \n
    • start (int):\nThe first configuration to be read (default 1)
      • \n
    • stop (int):\nThe last configuration to be read (default None)
      • \n
    • step (int):\nFixed step size between two measurements (default 1)
      • \n
    • alternative_ensemble_name (str):\nManually overwrite ensemble name
      • \n
    \n", "signature": "(file_path, bdio_path='./libbdio.so', **kwargs):", "funcdef": "def"}, "pyerrors.input.dobs": {"fullname": "pyerrors.input.dobs", "modulename": "pyerrors.input.dobs", "type": "module", "doc": "
    \n"}, "pyerrors.input.dobs.create_pobs_string": {"fullname": "pyerrors.input.dobs.create_pobs_string", "modulename": "pyerrors.input.dobs", "qualname": "create_pobs_string", "type": "function", "doc": "
    Export a list of Obs or structures containing Obs to an xml string\naccording to the Zeuthen pobs format.
    \n\n
    Tags are not written or recovered automatically. The separator | is removed from the replica names.
    \n\n
    Parameters
    \n\n
      \n
    • obsl (list):\nList of Obs that will be exported.\nThe Obs inside a structure have to be defined on the same ensemble.
      • \n
    • name (str):\nThe name of the observable.
      • \n
    • spec (str):\nOptional string that describes the contents of the file.
      • \n
    • origin (str):\nSpecify where the data has its origin.
      • \n
    • symbol (list):\nA list of symbols that describe the observables to be written. May be empty.
      • \n
    • enstag (str):\nEnstag that is written to pobs. If None, the ensemble name is used.
      • \n
    \n", "signature": "(obsl, name, spec='', origin='', symbol=[], enstag=None):", "funcdef": "def"}, "pyerrors.input.dobs.write_pobs": {"fullname": "pyerrors.input.dobs.write_pobs", "modulename": "pyerrors.input.dobs", "qualname": "write_pobs", "type": "function", "doc": "
    Export a list of Obs or structures containing Obs to a .xml.gz file\naccording to the Zeuthen pobs format.
    \n\n
    Tags are not written or recovered automatically. The separator | is removed from the replica names.
    \n\n
    Parameters
    \n\n
      \n
    • obsl (list):\nList of Obs that will be exported.\nThe Obs inside a structure have to be defined on the same ensemble.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • name (str):\nThe name of the observable.
      • \n
    • spec (str):\nOptional string that describes the contents of the file.
      • \n
    • origin (str):\nSpecify where the data has its origin.
      • \n
    • symbol (list):\nA list of symbols that describe the observables to be written. May be empty.
      • \n
    • enstag (str):\nEnstag that is written to pobs. If None, the ensemble name is used.
      • \n
    • gz (bool):\nIf True, the output is a gzipped xml. If False, the output is an xml file.
      • \n
    \n", "signature": "(\tobsl,\tfname,\tname,\tspec='',\torigin='',\tsymbol=[],\tenstag=None,\tgz=True):", "funcdef": "def"}, "pyerrors.input.dobs.read_pobs": {"fullname": "pyerrors.input.dobs.read_pobs", "modulename": "pyerrors.input.dobs", "qualname": "read_pobs", "type": "function", "doc": "
    Import a list of Obs from an xml.gz file in the Zeuthen pobs format.
    \n\n
    Tags are not written or recovered automatically.
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned as list.
      • \n
    • separatior_insertion (str or int):\nstr: replace all occurences of \"separator_insertion\" within the replica names\nby \"|%s\" % (separator_insertion) when constructing the names of the replica.\nint: Insert the separator \"|\" at the position given by separator_insertion.\nNone (default): Replica names remain unchanged.
      • \n
    \n", "signature": "(fname, full_output=False, gz=True, separator_insertion=None):", "funcdef": "def"}, "pyerrors.input.dobs.import_dobs_string": {"fullname": "pyerrors.input.dobs.import_dobs_string", "modulename": "pyerrors.input.dobs", "qualname": "import_dobs_string", "type": "function", "doc": "
    Import a list of Obs from a string in the Zeuthen dobs format.
    \n\n
    Tags are not written or recovered automatically.
    \n\n
    Parameters
    \n\n
      \n
    • content (str):\nXML string containing the data
      • \n
    • noemtpy (bool):\nIf True, ensembles with no contribution to the Obs are not included.\nIf False, ensembles are included as written in the file, possibly with vanishing entries.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned as list.
      • \n
    • separatior_insertion (str, int or bool):\nstr: replace all occurences of \"separator_insertion\" within the replica names\nby \"|%s\" % (separator_insertion) when constructing the names of the replica.\nint: Insert the separator \"|\" at the position given by separator_insertion.\nTrue (default): separator \"|\" is inserted after len(ensname), assuming that the\nensemble name is a prefix to the replica name.\nNone or False: No separator is inserted.
      • \n
    \n", "signature": "(content, noempty=False, full_output=False, separator_insertion=True):", "funcdef": "def"}, "pyerrors.input.dobs.read_dobs": {"fullname": "pyerrors.input.dobs.read_dobs", "modulename": "pyerrors.input.dobs", "qualname": "read_dobs", "type": "function", "doc": "
    Import a list of Obs from an xml.gz file in the Zeuthen dobs format.
    \n\n
    Tags are not written or recovered automatically.
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • noemtpy (bool):\nIf True, ensembles with no contribution to the Obs are not included.\nIf False, ensembles are included as written in the file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned as list.
      • \n
    • gz (bool):\nIf True, assumes that data is gzipped. If False, assumes XML file.
      • \n
    • separatior_insertion (str, int or bool):\nstr: replace all occurences of \"separator_insertion\" within the replica names\nby \"|%s\" % (separator_insertion) when constructing the names of the replica.\nint: Insert the separator \"|\" at the position given by separator_insertion.\nTrue (default): separator \"|\" is inserted after len(ensname), assuming that the\nensemble name is a prefix to the replica name.\nNone or False: No separator is inserted.
      • \n
    \n", "signature": "(\tfname,\tnoempty=False,\tfull_output=False,\tgz=True,\tseparator_insertion=True):", "funcdef": "def"}, "pyerrors.input.dobs.create_dobs_string": {"fullname": "pyerrors.input.dobs.create_dobs_string", "modulename": "pyerrors.input.dobs", "qualname": "create_dobs_string", "type": "function", "doc": "
    Generate the string for the export of a list of Obs or structures containing Obs\nto a .xml.gz file according to the Zeuthen dobs format.
    \n\n
    Tags are not written or recovered automatically. The separator |is removed from the replica names.
    \n\n
    Parameters
    \n\n
      \n
    • obsl (list):\nList of Obs that will be exported.\nThe Obs inside a structure do not have to be defined on the same set of configurations,\nbut the storage requirement is increased, if this is not the case.
      • \n
    • name (str):\nThe name of the observable.
      • \n
    • spec (str):\nOptional string that describes the contents of the file.
      • \n
    • origin (str):\nSpecify where the data has its origin.
      • \n
    • symbol (list):\nA list of symbols that describe the observables to be written. May be empty.
      • \n
    • who (str):\nProvide the name of the person that exports the data.
      • \n
    • enstags (dict):\nProvide alternative enstag for ensembles in the form enstags = {ename: enstag}\nOtherwise, the ensemble name is used.
      • \n
    \n", "signature": "(\tobsl,\tname,\tspec='dobs v1.0',\torigin='',\tsymbol=[],\twho=None,\tenstags=None):", "funcdef": "def"}, "pyerrors.input.dobs.write_dobs": {"fullname": "pyerrors.input.dobs.write_dobs", "modulename": "pyerrors.input.dobs", "qualname": "write_dobs", "type": "function", "doc": "
    Export a list of Obs or structures containing Obs to a .xml.gz file\naccording to the Zeuthen dobs format.
    \n\n
    Tags are not written or recovered automatically. The separator | is removed from the replica names.
    \n\n
    Parameters
    \n\n
      \n
    • obsl (list):\nList of Obs that will be exported.\nThe Obs inside a structure do not have to be defined on the same set of configurations,\nbut the storage requirement is increased, if this is not the case.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • name (str):\nThe name of the observable.
      • \n
    • spec (str):\nOptional string that describes the contents of the file.
      • \n
    • origin (str):\nSpecify where the data has its origin.
      • \n
    • symbol (list):\nA list of symbols that describe the observables to be written. May be empty.
      • \n
    • who (str):\nProvide the name of the person that exports the data.
      • \n
    • enstags (dict):\nProvide alternative enstag for ensembles in the form enstags = {ename: enstag}\nOtherwise, the ensemble name is used.
      • \n
    • gz (bool):\nIf True, the output is a gzipped XML. If False, the output is a XML file.
      • \n
    \n", "signature": "(\tobsl,\tfname,\tname,\tspec='dobs v1.0',\torigin='',\tsymbol=[],\twho=None,\tenstags=None,\tgz=True):", "funcdef": "def"}, "pyerrors.input.hadrons": {"fullname": "pyerrors.input.hadrons", "modulename": "pyerrors.input.hadrons", "type": "module", "doc": "
    \n"}, "pyerrors.input.hadrons.read_meson_hd5": {"fullname": "pyerrors.input.hadrons.read_meson_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_meson_hd5", "type": "function", "doc": "
    Read hadrons meson hdf5 file and extract the meson labeled 'meson'
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the files to read
      • \n
    • filestem (str):\nnamestem of the files to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • meson (str):\nlabel of the meson to be extracted, standard value meson_0 which\ncorresponds to the pseudoscalar pseudoscalar two-point function.
      • \n
    • gammas (tuple of strings):\nInstrad of a meson label one can also provide a tuple of two strings\nindicating the gamma matrices at source and sink.\n(\"Gamma5\", \"Gamma5\") corresponds to the pseudoscalar pseudoscalar\ntwo-point function. The gammas argument dominateds over meson.
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    \n", "signature": "(path, filestem, ens_id, meson='meson_0', idl=None, gammas=None):", "funcdef": "def"}, "pyerrors.input.hadrons.read_DistillationContraction_hd5": {"fullname": "pyerrors.input.hadrons.read_DistillationContraction_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_DistillationContraction_hd5", "type": "function", "doc": "
    Read hadrons DistillationContraction hdf5 files in given directory structure
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the directories to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • diagrams (list):\nList of strings of the diagrams to extract, e.g. [\"direct\", \"box\", \"cross\"].
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    \n", "signature": "(path, ens_id, diagrams=['direct'], idl=None):", "funcdef": "def"}, "pyerrors.input.hadrons.Npr_matrix": {"fullname": "pyerrors.input.hadrons.Npr_matrix", "modulename": "pyerrors.input.hadrons", "qualname": "Npr_matrix", "type": "class", "doc": "
    ndarray(shape, dtype=float, buffer=None, offset=0,\n        strides=None, order=None)
    \n\n
    An array object represents a multidimensional, homogeneous array\nof fixed-size items.  An associated data-type object describes the\nformat of each element in the array (its byte-order, how many bytes it\noccupies in memory, whether it is an integer, a floating point number,\nor something else, etc.)
    \n\n
    Arrays should be constructed using array, zeros or empty (refer\nto the See Also section below).  The parameters given here refer to\na low-level method (ndarray(...)) for instantiating an array.
    \n\n
    For more information, refer to the numpy module and examine the\nmethods and attributes of an array.
    \n\n
    Parameters
    \n\n
      \n
    • (for the __new__ method; see Notes below)
      • \n
    • shape (tuple of ints):\nShape of created array.
      • \n
    • dtype (data-type, optional):\nAny object that can be interpreted as a numpy data type.
      • \n
    • buffer (object exposing buffer interface, optional):\nUsed to fill the array with data.
      • \n
    • offset (int, optional):\nOffset of array data in buffer.
      • \n
    • strides (tuple of ints, optional):\nStrides of data in memory.
      • \n
    • order ({'C', 'F'}, optional):\nRow-major (C-style) or column-major (Fortran-style) order.
      • \n
    \n\n
    Attributes
    \n\n
      \n
    • T (ndarray):\nTranspose of the array.
      • \n
    • data (buffer):\nThe array's elements, in memory.
      • \n
    • dtype (dtype object):\nDescribes the format of the elements in the array.
      • \n
    • flags (dict):\nDictionary containing information related to memory use, e.g.,\n'C_CONTIGUOUS', 'OWNDATA', 'WRITEABLE', etc.
      • \n
    • flat (numpy.flatiter object):\nFlattened version of the array as an iterator.  The iterator\nallows assignments, e.g., x.flat = 3 (See ndarray.flat for\nassignment examples; TODO).
      • \n
    • imag (ndarray):\nImaginary part of the array.
      • \n
    • real (ndarray):\nReal part of the array.
      • \n
    • size (int):\nNumber of elements in the array.
      • \n
    • itemsize (int):\nThe memory use of each array element in bytes.
      • \n
    • nbytes (int):\nThe total number of bytes required to store the array data,\ni.e., itemsize * size.
      • \n
    • ndim (int):\nThe array's number of dimensions.
      • \n
    • shape (tuple of ints):\nShape of the array.
      • \n
    • strides (tuple of ints):\nThe step-size required to move from one element to the next in\nmemory. For example, a contiguous (3, 4) array of type\nint16 in C-order has strides (8, 2).  This implies that\nto move from element to element in memory requires jumps of 2 bytes.\nTo move from row-to-row, one needs to jump 8 bytes at a time\n(2 * 4).
      • \n
    • ctypes (ctypes object):\nClass containing properties of the array needed for interaction\nwith ctypes.
      • \n
    • base (ndarray):\nIf the array is a view into another array, that array is its base\n(unless that array is also a view).  The base array is where the\narray data is actually stored.
      • \n
    \n\n
    See Also
    \n\n
    array:  Construct an array. 
    \nzeros:  Create an array, each element of which is zero. 
    \nempty:  Create an array, but leave its allocated memory unchanged (i.e.,\nit contains \"garbage\"). 
    \ndtype:  Create a data-type. 
    \nnumpy.typing.NDArray:  An ndarray alias :term:generic <generic type>\nw.r.t. its dtype.type <numpy.dtype.type>.  
    \n\n
    Notes
    \n\n
    There are two modes of creating an array using __new__:
    \n\n
      \n
    1. If buffer is None, then only shape, dtype, and order\nare used.
      2. \n
    2. If buffer is an object exposing the buffer interface, then\nall keywords are interpreted.
      3. \n
    \n\n
    No __init__ method is needed because the array is fully initialized\nafter the __new__ method.
    \n\n
    Examples
    \n\n
    These examples illustrate the low-level ndarray constructor.  Refer\nto the See Also section above for easier ways of constructing an\nndarray.
    \n\n
    First mode, buffer is None:
    \n\n
    \n
    >>> np.ndarray(shape=(2,2), dtype=float, order='F')\narray([[0.0e+000, 0.0e+000], # random\n       [     nan, 2.5e-323]])\n
    \n
    \n\n
    Second mode:
    \n\n
    \n
    >>> np.ndarray((2,), buffer=np.array([1,2,3]),\n...            offset=np.int_().itemsize,\n...            dtype=int) # offset = 1*itemsize, i.e. skip first element\narray([2, 3])\n
    \n
    \n", "bases": "numpy.ndarray"}, "pyerrors.input.hadrons.Npr_matrix.__init__": {"fullname": "pyerrors.input.hadrons.Npr_matrix.__init__", "modulename": "pyerrors.input.hadrons", "qualname": "Npr_matrix.__init__", "type": "function", "doc": "
    \n", "signature": "()"}, "pyerrors.input.hadrons.Npr_matrix.g5H": {"fullname": "pyerrors.input.hadrons.Npr_matrix.g5H", "modulename": "pyerrors.input.hadrons", "qualname": "Npr_matrix.g5H", "type": "variable", "doc": "
    Gamma_5 hermitean conjugate
    \n\n
    Uses the fact that the propagator is gamma5 hermitean, so just the\nin and out momenta of the propagator are exchanged.
    \n"}, "pyerrors.input.hadrons.read_ExternalLeg_hd5": {"fullname": "pyerrors.input.hadrons.read_ExternalLeg_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_ExternalLeg_hd5", "type": "function", "doc": "
    Read hadrons ExternalLeg hdf5 file and output an array of CObs
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the files to read
      • \n
    • filestem (str):\nnamestem of the files to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    \n", "signature": "(path, filestem, ens_id, idl=None):", "funcdef": "def"}, "pyerrors.input.hadrons.read_Bilinear_hd5": {"fullname": "pyerrors.input.hadrons.read_Bilinear_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_Bilinear_hd5", "type": "function", "doc": "
    Read hadrons Bilinear hdf5 file and output an array of CObs
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the files to read
      • \n
    • filestem (str):\nnamestem of the files to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    \n", "signature": "(path, filestem, ens_id, idl=None):", "funcdef": "def"}, "pyerrors.input.hadrons.read_Fourquark_hd5": {"fullname": "pyerrors.input.hadrons.read_Fourquark_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_Fourquark_hd5", "type": "function", "doc": "
    Read hadrons FourquarkFullyConnected hdf5 file and output an array of CObs
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the files to read
      • \n
    • filestem (str):\nnamestem of the files to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    • vertices (list):\nVertex functions to be extracted.
      • \n
    \n", "signature": "(path, filestem, ens_id, idl=None, vertices=['VA', 'AV']):", "funcdef": "def"}, "pyerrors.input.json": {"fullname": "pyerrors.input.json", "modulename": "pyerrors.input.json", "type": "module", "doc": "
    \n"}, "pyerrors.input.json.create_json_string": {"fullname": "pyerrors.input.json.create_json_string", "modulename": "pyerrors.input.json", "qualname": "create_json_string", "type": "function", "doc": "
    Generate the string for the export of a list of Obs or structures containing Obs\nto a .json(.gz) file
    \n\n
    Parameters
    \n\n
      \n
    • ol (list):\nList of objects that will be exported. At the moment, these objects can be\neither of: Obs, list, numpy.ndarray, Corr.\nAll Obs inside a structure have to be defined on the same set of configurations.
      • \n
    • description (str):\nOptional string that describes the contents of the json file.
      • \n
    • indent (int):\nSpecify the indentation level of the json file. None or 0 is permissible and\nsaves disk space.
      • \n
    \n", "signature": "(ol, description='', indent=1):", "funcdef": "def"}, "pyerrors.input.json.dump_to_json": {"fullname": "pyerrors.input.json.dump_to_json", "modulename": "pyerrors.input.json", "qualname": "dump_to_json", "type": "function", "doc": "
    Export a list of Obs or structures containing Obs to a .json(.gz) file
    \n\n
    Parameters
    \n\n
      \n
    • ol (list):\nList of objects that will be exported. At the moment, these objects can be\neither of: Obs, list, numpy.ndarray, Corr.\nAll Obs inside a structure have to be defined on the same set of configurations.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • description (str):\nOptional string that describes the contents of the json file.
      • \n
    • indent (int):\nSpecify the indentation level of the json file. None or 0 is permissible and\nsaves disk space.
      • \n
    • gz (bool):\nIf True, the output is a gzipped json. If False, the output is a json file.
      • \n
    \n", "signature": "(ol, fname, description='', indent=1, gz=True):", "funcdef": "def"}, "pyerrors.input.json.import_json_string": {"fullname": "pyerrors.input.json.import_json_string", "modulename": "pyerrors.input.json", "qualname": "import_json_string", "type": "function", "doc": "
    Reconstruct a list of Obs or structures containing Obs from a json string.
    \n\n
    The following structures are supported: Obs, list, numpy.ndarray, Corr\nIf the list contains only one element, it is unpacked from the list.
    \n\n
    Parameters
    \n\n
      \n
    • json_string (str):\njson string containing the data.
      • \n
    • verbose (bool):\nPrint additional information that was written to the file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned.
      • \n
    \n", "signature": "(json_string, verbose=True, full_output=False):", "funcdef": "def"}, "pyerrors.input.json.load_json": {"fullname": "pyerrors.input.json.load_json", "modulename": "pyerrors.input.json", "qualname": "load_json", "type": "function", "doc": "
    Import a list of Obs or structures containing Obs from a .json(.gz) file.
    \n\n
    The following structures are supported: Obs, list, numpy.ndarray, Corr\nIf the list contains only one element, it is unpacked from the list.
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • verbose (bool):\nPrint additional information that was written to the file.
      • \n
    • gz (bool):\nIf True, assumes that data is gzipped. If False, assumes JSON file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned.
      • \n
    \n", "signature": "(fname, verbose=True, gz=True, full_output=False):", "funcdef": "def"}, "pyerrors.input.json.dump_dict_to_json": {"fullname": "pyerrors.input.json.dump_dict_to_json", "modulename": "pyerrors.input.json", "qualname": "dump_dict_to_json", "type": "function", "doc": "
    Export a dict of Obs or structures containing Obs to a .json(.gz) file
    \n\n
    Parameters
    \n\n
      \n
    • od (dict):\nDict of JSON valid structures and objects that will be exported.\nAt the moment, these objects can be either of: Obs, list, numpy.ndarray, Corr.\nAll Obs inside a structure have to be defined on the same set of configurations.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • description (str):\nOptional string that describes the contents of the json file.
      • \n
    • indent (int):\nSpecify the indentation level of the json file. None or 0 is permissible and\nsaves disk space.
      • \n
    • reps (str):\nSpecify the structure of the placeholder in exported dict to be reps[0-9]+.
      • \n
    • gz (bool):\nIf True, the output is a gzipped json. If False, the output is a json file.
      • \n
    \n", "signature": "(od, fname, description='', indent=1, reps='DICTOBS', gz=True):", "funcdef": "def"}, "pyerrors.input.json.load_json_dict": {"fullname": "pyerrors.input.json.load_json_dict", "modulename": "pyerrors.input.json", "qualname": "load_json_dict", "type": "function", "doc": "
    Import a dict of Obs or structures containing Obs from a .json(.gz) file.
    \n\n
    The following structures are supported: Obs, list, numpy.ndarray, Corr
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • verbose (bool):\nPrint additional information that was written to the file.
      • \n
    • gz (bool):\nIf True, assumes that data is gzipped. If False, assumes JSON file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned.
      • \n
    • reps (str):\nSpecify the structure of the placeholder in imported dict to be reps[0-9]+.
      • \n
    \n", "signature": "(fname, verbose=True, gz=True, full_output=False, reps='DICTOBS'):", "funcdef": "def"}, "pyerrors.input.misc": {"fullname": "pyerrors.input.misc", "modulename": "pyerrors.input.misc", "type": "module", "doc": "
    \n"}, "pyerrors.input.misc.read_pbp": {"fullname": "pyerrors.input.misc.read_pbp", "modulename": "pyerrors.input.misc", "qualname": "read_pbp", "type": "function", "doc": "
    Read pbp format from given folder structure. Returns a list of length nrw
    \n\n
    Parameters
    \n\n
      \n
    • r_start (list):\nlist which contains the first config to be read for each replicum
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum
      • \n
    \n", "signature": "(path, prefix, **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD": {"fullname": "pyerrors.input.openQCD", "modulename": "pyerrors.input.openQCD", "type": "module", "doc": "
    \n"}, "pyerrors.input.openQCD.read_rwms": {"fullname": "pyerrors.input.openQCD.read_rwms", "modulename": "pyerrors.input.openQCD", "qualname": "read_rwms", "type": "function", "doc": "
    Read rwms format from given folder structure. Returns a list of length nrw
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath that contains the data files
      • \n
    • prefix (str):\nall files in path that start with prefix are considered as input files.\nMay be used together postfix to consider only special file endings.\nPrefix is ignored, if the keyword 'files' is used.
      • \n
    • version (str):\nversion of openQCD, default 2.0
      • \n
    • names (list):\nlist of names that is assigned to the data according according\nto the order in the file list. Use careful, if you do not provide file names!
      • \n
    • r_start (list):\nlist which contains the first config to be read for each replicum
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum
      • \n
    • r_step (int):\ninteger that defines a fixed step size between two measurements (in units of configs)\nIf not given, r_step=1 is assumed.
      • \n
    • postfix (str):\npostfix of the file to read, e.g. '.ms1' for openQCD-files
      • \n
    • files (list):\nlist which contains the filenames to be read. No automatic detection of\nfiles performed if given.
      • \n
    • print_err (bool):\nPrint additional information that is useful for debugging.
      • \n
    \n", "signature": "(path, prefix, version='2.0', names=None, **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD.extract_t0": {"fullname": "pyerrors.input.openQCD.extract_t0", "modulename": "pyerrors.input.openQCD", "qualname": "extract_t0", "type": "function", "doc": "
    Extract t0 from given .ms.dat files. Returns t0 as Obs.
    \n\n
    It is assumed that all boundary effects have\nsufficiently decayed at x0=xmin.\nThe data around the zero crossing of t^2 - 0.3\nis fitted with a linear function\nfrom which the exact root is extracted.
    \n\n
    It is assumed that one measurement is performed for each config.\nIf this is not the case, the resulting idl, as well as the handling\nof r_start, r_stop and r_step is wrong and the user has to correct\nthis in the resulting observable.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\nPath to .ms.dat files
      • \n
    • prefix (str):\nEnsemble prefix
      • \n
    • dtr_read (int):\nDetermines how many trajectories should be skipped\nwhen reading the ms.dat files.\nCorresponds to dtr_cnfg / dtr_ms in the openQCD input file.
      • \n
    • xmin (int):\nFirst timeslice where the boundary\neffects have sufficiently decayed.
      • \n
    • spatial_extent (int):\nspatial extent of the lattice, required for normalization.
      • \n
    • fit_range (int):\nNumber of data points left and right of the zero\ncrossing to be included in the linear fit. (Default: 5)
      • \n
    • r_start (list):\nlist which contains the first config to be read for each replicum.
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum.
      • \n
    • r_step (int):\ninteger that defines a fixed step size between two measurements (in units of configs)\nIf not given, r_step=1 is assumed.
      • \n
    • plaquette (bool):\nIf true extract the plaquette estimate of t0 instead.
      • \n
    • names (list):\nlist of names that is assigned to the data according according\nto the order in the file list. Use careful, if you do not provide file names!
      • \n
    • files (list):\nlist which contains the filenames to be read. No automatic detection of\nfiles performed if given.
      • \n
    • plot_fit (bool):\nIf true, the fit for the extraction of t0 is shown together with the data.
      • \n
    • assume_thermalization (bool):\nIf True: If the first record divided by the distance between two measurements is larger than\n1, it is assumed that this is due to thermalization and the first measurement belongs\nto the first config (default).\nIf False: The config numbers are assumed to be traj_number // difference
      • \n
    \n", "signature": "(path, prefix, dtr_read, xmin, spatial_extent, fit_range=5, **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD.read_qtop": {"fullname": "pyerrors.input.openQCD.read_qtop", "modulename": "pyerrors.input.openQCD", "qualname": "read_qtop", "type": "function", "doc": "
    Read the topologial charge based on openQCD gradient flow measurements.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath of the measurement files
      • \n
    • prefix (str):\nprefix of the measurement files, e.g. _id0_r0.ms.dat.\nIgnored if file names are passed explicitly via keyword files.
      • \n
    • c (double):\nSmearing radius in units of the lattice extent, c = sqrt(8 t0) / L.
      • \n
    • dtr_cnfg (int):\n(optional) parameter that specifies the number of measurements\nbetween two configs.\nIf it is not set, the distance between two measurements\nin the file is assumed to be the distance between two configurations.
      • \n
    • steps (int):\n(optional) Distance between two configurations in units of trajectories /\n cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given
      • \n
    • version (str):\nEither openQCD or sfqcd, depending on the data.
      • \n
    • L (int):\nspatial length of the lattice in L/a.\nHAS to be set if version != sfqcd, since openQCD does not provide\nthis in the header
      • \n
    • r_start (list):\nlist which contains the first config to be read for each replicum.
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum.
      • \n
    • files (list):\nspecify the exact files that need to be read\nfrom path, practical if e.g. only one replicum is needed
      • \n
    • names (list):\nAlternative labeling for replicas/ensembles.\nHas to have the appropriate length.
      • \n
    • Zeuthen_flow (bool):\n(optional) If True, the Zeuthen flow is used for Qtop. Only possible\nfor version=='sfqcd' If False, the Wilson flow is used.
      • \n
    • integer_charge (bool):\nIf True, the charge is rounded towards the nearest integer on each config.
      • \n
    \n", "signature": "(path, prefix, c, dtr_cnfg=1, version='openQCD', **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD.read_gf_coupling": {"fullname": "pyerrors.input.openQCD.read_gf_coupling", "modulename": "pyerrors.input.openQCD", "qualname": "read_gf_coupling", "type": "function", "doc": "
    Read the gradient flow coupling based on sfqcd gradient flow measurements. See 1607.06423 for details.
    \n\n
    Note: The current implementation only works for c=0.3 and T=L. The definition of the coupling in 1607.06423 requires projection to topological charge zero which is not done within this function but has to be performed in a separate step.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath of the measurement files
      • \n
    • prefix (str):\nprefix of the measurement files, e.g. _id0_r0.ms.dat.\nIgnored if file names are passed explicitly via keyword files.
      • \n
    • c (double):\nSmearing radius in units of the lattice extent, c = sqrt(8 t0) / L.
      • \n
    • dtr_cnfg (int):\n(optional) parameter that specifies the number of measurements\nbetween two configs.\nIf it is not set, the distance between two measurements\nin the file is assumed to be the distance between two configurations.
      • \n
    • steps (int):\n(optional) Distance between two configurations in units of trajectories /\n cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given
      • \n
    • r_start (list):\nlist which contains the first config to be read for each replicum.
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum.
      • \n
    • files (list):\nspecify the exact files that need to be read\nfrom path, practical if e.g. only one replicum is needed
      • \n
    • names (list):\nAlternative labeling for replicas/ensembles.\nHas to have the appropriate length.
      • \n
    • Zeuthen_flow (bool):\n(optional) If True, the Zeuthen flow is used for the coupling. If False, the Wilson flow is used.
      • \n
    \n", "signature": "(path, prefix, c, dtr_cnfg=1, Zeuthen_flow=True, **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD.qtop_projection": {"fullname": "pyerrors.input.openQCD.qtop_projection", "modulename": "pyerrors.input.openQCD", "qualname": "qtop_projection", "type": "function", "doc": "
    Returns the projection to the topological charge sector defined by target.
    \n\n
    Parameters
    \n\n
      \n
    • path (Obs):\nTopological charge.
      • \n
    • target (int):\nSpecifies the topological sector to be reweighted to (default 0)
      • \n
    \n", "signature": "(qtop, target=0):", "funcdef": "def"}, "pyerrors.input.openQCD.read_qtop_sector": {"fullname": "pyerrors.input.openQCD.read_qtop_sector", "modulename": "pyerrors.input.openQCD", "qualname": "read_qtop_sector", "type": "function", "doc": "
    Constructs reweighting factors to a specified topological sector.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath of the measurement files
      • \n
    • prefix (str):\nprefix of the measurement files, e.g. _id0_r0.ms.dat
      • \n
    • c (double):\nSmearing radius in units of the lattice extent, c = sqrt(8 t0) / L
      • \n
    • target (int):\nSpecifies the topological sector to be reweighted to (default 0)
      • \n
    • dtr_cnfg (int):\n(optional) parameter that specifies the number of trajectories\nbetween two configs.\nif it is not set, the distance between two measurements\nin the file is assumed to be the distance between two configurations.
      • \n
    • steps (int):\n(optional) Distance between two configurations in units of trajectories /\n cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given
      • \n
    • version (str):\nversion string of the openQCD (sfqcd) version used to create\nthe ensemble. Default is 2.0. May also be set to sfqcd.
      • \n
    • L (int):\nspatial length of the lattice in L/a.\nHAS to be set if version != sfqcd, since openQCD does not provide\nthis in the header
      • \n
    • r_start (list):\noffset of the first ensemble, making it easier to match\nlater on with other Obs
      • \n
    • r_stop (list):\nlast configurations that need to be read (per replicum)
      • \n
    • files (list):\nspecify the exact files that need to be read\nfrom path, practical if e.g. only one replicum is needed
      • \n
    • names (list):\nAlternative labeling for replicas/ensembles.\nHas to have the appropriate length
      • \n
    • Zeuthen_flow (bool):\n(optional) If True, the Zeuthen flow is used for Qtop. Only possible\nfor version=='sfqcd' If False, the Wilson flow is used.
      • \n
    \n", "signature": "(path, prefix, c, target=0, **kwargs):", "funcdef": "def"}, "pyerrors.input.pandas": {"fullname": "pyerrors.input.pandas", "modulename": "pyerrors.input.pandas", "type": "module", "doc": "
    \n"}, "pyerrors.input.pandas.to_sql": {"fullname": "pyerrors.input.pandas.to_sql", "modulename": "pyerrors.input.pandas", "qualname": "to_sql", "type": "function", "doc": "
    Write DataFrame including Obs or Corr valued columns to sqlite database.
    \n\n
    Parameters
    \n\n
      \n
    • df (pandas.DataFrame):\nDataframe to be written to the database.
      • \n
    • table_name (str):\nName of the table in the database.
      • \n
    • db (str):\nPath to the sqlite database.
      • \n
    • if exists (str):\nHow to behave if table already exists. Options 'fail', 'replace', 'append'.
      • \n
    • gz (bool):\nIf True the json strings are gzipped.
      • \n
    \n", "signature": "(df, table_name, db, if_exists='fail', gz=True, **kwargs):", "funcdef": "def"}, "pyerrors.input.pandas.read_sql": {"fullname": "pyerrors.input.pandas.read_sql", "modulename": "pyerrors.input.pandas", "qualname": "read_sql", "type": "function", "doc": "
    Execute SQL query on sqlite database and obtain DataFrame including Obs or Corr valued columns.
    \n\n
    Parameters
    \n\n
      \n
    • sql (str):\nSQL query to be executed.
      • \n
    • db (str):\nPath to the sqlite database.
      • \n
    • auto_gamma (bool):\nIf True applies the gamma_method to all imported Obs objects with the default parameters for\nthe error analysis. Default False.
      • \n
    \n", "signature": "(sql, db, auto_gamma=False, **kwargs):", "funcdef": "def"}, "pyerrors.input.pandas.dump_df": {"fullname": "pyerrors.input.pandas.dump_df", "modulename": "pyerrors.input.pandas", "qualname": "dump_df", "type": "function", "doc": "
    Exports a pandas DataFrame containing Obs valued columns to a (gzipped) csv file.
    \n\n
    Before making use of pandas to_csv functionality Obs objects are serialized via the standardized\njson format of pyerrors.
    \n\n
    Parameters
    \n\n
      \n
    • df (pandas.DataFrame):\nDataframe to be dumped to a file.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • gz (bool):\nIf True, the output is a gzipped csv file. If False, the output is a csv file.
      • \n
    \n", "signature": "(df, fname, gz=True):", "funcdef": "def"}, "pyerrors.input.pandas.load_df": {"fullname": "pyerrors.input.pandas.load_df", "modulename": "pyerrors.input.pandas", "qualname": "load_df", "type": "function", "doc": "
    Imports a pandas DataFrame from a csv.(gz) file in which Obs objects are serialized as json strings.
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • auto_gamma (bool):\nIf True applies the gamma_method to all imported Obs objects with the default parameters for\nthe error analysis. Default False.
      • \n
    • gz (bool):\nIf True, assumes that data is gzipped. If False, assumes JSON file.
      • \n
    \n", "signature": "(fname, auto_gamma=False, gz=True):", "funcdef": "def"}, "pyerrors.input.sfcf": {"fullname": "pyerrors.input.sfcf", "modulename": "pyerrors.input.sfcf", "type": "module", "doc": "
    \n"}, "pyerrors.input.sfcf.read_sfcf": {"fullname": "pyerrors.input.sfcf.read_sfcf", "modulename": "pyerrors.input.sfcf", "qualname": "read_sfcf", "type": "function", "doc": "
    Read sfcf c format from given folder structure.
    \n\n
    Parameters
    \n\n
      \n
    • quarks (str):\nLabel of the quarks used in the sfcf input file. e.g. \"quark quark\"\nfor version 0.0 this does NOT need to be given with the typical \" - \"\nthat is present in the output file,\nthis is done automatically for this version
      • \n
    • noffset (int):\nOffset of the source (only relevant when wavefunctions are used)
      • \n
    • wf (int):\nID of wave function
      • \n
    • wf2 (int):\nID of the second wavefunction\n(only relevant for boundary-to-boundary correlation functions)
      • \n
    • im (bool):\nif True, read imaginary instead of real part\nof the correlation function.
      • \n
    • corr_type (str):\nchange between bi (boundary - inner) (default) bib (boundary - inner - boundary) and bb (boundary - boundary)\ncorrelator types
      • \n
    • names (list):\nAlternative labeling for replicas/ensembles.\nHas to have the appropriate length
      • \n
    • ens_name (str):\nreplaces the name of the ensemble
      • \n
    • version (str):\nversion of SFCF, with which the measurement was done.\nif the compact output option (-c) was specified,\nappend a \"c\" to the version (e.g. \"1.0c\")\nif the append output option (-a) was specified,\nappend an \"a\" to the version
      • \n
    • cfg_separator (str):\nString that separates the ensemble identifier from the configuration number (default 'n').
      • \n
    • replica (list):\nlist of replica to be read, default is all
      • \n
    • files (list):\nlist of files to be read per replica, default is all.\nfor non-compact output format, hand the folders to be read here.
      • \n
    • check_configs:: list of list of supposed configs, eg. [range(1,1000)]\nfor one replicum with 1000 configs
      • \n
    \n", "signature": "(\tpath,\tprefix,\tname,\tquarks='.*',\tcorr_type='bi',\tnoffset=0,\twf=0,\twf2=0,\tversion='1.0c',\tcfg_separator='n',\t**kwargs):", "funcdef": "def"}, "pyerrors.input.utils": {"fullname": "pyerrors.input.utils", "modulename": "pyerrors.input.utils", "type": "module", "doc": "
    Utilities for the input
    \n"}, "pyerrors.input.utils.check_idl": {"fullname": "pyerrors.input.utils.check_idl", "modulename": "pyerrors.input.utils", "qualname": "check_idl", "type": "function", "doc": "
    Checks if list of configurations is contained in an idl
    \n\n
    Parameters
    \n\n
      \n
    • idl (range or list):\nidl of the current replicum
      • \n
    • che (list):\nlist of configurations to be checked against
      • \n
    \n", "signature": "(idl, che):", "funcdef": "def"}, "pyerrors.linalg": {"fullname": "pyerrors.linalg", "modulename": "pyerrors.linalg", "type": "module", "doc": "
    \n"}, "pyerrors.linalg.matmul": {"fullname": "pyerrors.linalg.matmul", "modulename": "pyerrors.linalg", "qualname": "matmul", "type": "function", "doc": "
    Matrix multiply all operands.
    \n\n
    Parameters
    \n\n
      \n
    • operands (numpy.ndarray):\nArbitrary number of 2d-numpy arrays which can be real or complex\nObs valued.
      • \n
    • This implementation is faster compared to standard multiplication via the @ operator.
      • \n
    \n", "signature": "(*operands):", "funcdef": "def"}, "pyerrors.linalg.jack_matmul": {"fullname": "pyerrors.linalg.jack_matmul", "modulename": "pyerrors.linalg", "qualname": "jack_matmul", "type": "function", "doc": "
    Matrix multiply both operands making use of the jackknife approximation.
    \n\n
    Parameters
    \n\n
      \n
    • operands (numpy.ndarray):\nArbitrary number of 2d-numpy arrays which can be real or complex\nObs valued.
      • \n
    • For large matrices this is considerably faster compared to matmul.
      • \n
    \n", "signature": "(*operands):", "funcdef": "def"}, "pyerrors.linalg.einsum": {"fullname": "pyerrors.linalg.einsum", "modulename": "pyerrors.linalg", "qualname": "einsum", "type": "function", "doc": "
    Wrapper for numpy.einsum
    \n\n
    Parameters
    \n\n
      \n
    • subscripts (str):\nSubscripts for summation (see numpy documentation for details)
      • \n
    • operands (numpy.ndarray):\nArbitrary number of 2d-numpy arrays which can be real or complex\nObs valued.
      • \n
    \n", "signature": "(subscripts, *operands):", "funcdef": "def"}, "pyerrors.linalg.inv": {"fullname": "pyerrors.linalg.inv", "modulename": "pyerrors.linalg", "qualname": "inv", "type": "function", "doc": "
    Inverse of Obs or CObs valued matrices.
    \n", "signature": "(x):", "funcdef": "def"}, "pyerrors.linalg.cholesky": {"fullname": "pyerrors.linalg.cholesky", "modulename": "pyerrors.linalg", "qualname": "cholesky", "type": "function", "doc": "
    Cholesky decomposition of Obs valued matrices.
    \n", "signature": "(x):", "funcdef": "def"}, "pyerrors.linalg.det": {"fullname": "pyerrors.linalg.det", "modulename": "pyerrors.linalg", "qualname": "det", "type": "function", "doc": "
    Determinant of Obs valued matrices.
    \n", "signature": "(x):", "funcdef": "def"}, "pyerrors.linalg.eigh": {"fullname": "pyerrors.linalg.eigh", "modulename": "pyerrors.linalg", "qualname": "eigh", "type": "function", "doc": "
    Computes the eigenvalues and eigenvectors of a given hermitian matrix of Obs according to np.linalg.eigh.
    \n", "signature": "(obs, **kwargs):", "funcdef": "def"}, "pyerrors.linalg.eig": {"fullname": "pyerrors.linalg.eig", "modulename": "pyerrors.linalg", "qualname": "eig", "type": "function", "doc": "
    Computes the eigenvalues of a given matrix of Obs according to np.linalg.eig.
    \n", "signature": "(obs, **kwargs):", "funcdef": "def"}, "pyerrors.linalg.pinv": {"fullname": "pyerrors.linalg.pinv", "modulename": "pyerrors.linalg", "qualname": "pinv", "type": "function", "doc": "
    Computes the Moore-Penrose pseudoinverse of a matrix of Obs.
    \n", "signature": "(obs, **kwargs):", "funcdef": "def"}, "pyerrors.linalg.svd": {"fullname": "pyerrors.linalg.svd", "modulename": "pyerrors.linalg", "qualname": "svd", "type": "function", "doc": "
    Computes the singular value decomposition of a matrix of Obs.
    \n", "signature": "(obs, **kwargs):", "funcdef": "def"}, "pyerrors.misc": {"fullname": "pyerrors.misc", "modulename": "pyerrors.misc", "type": "module", "doc": "
    \n"}, "pyerrors.misc.dump_object": {"fullname": "pyerrors.misc.dump_object", "modulename": "pyerrors.misc", "qualname": "dump_object", "type": "function", "doc": "
    Dump object into pickle file.
    \n\n
    Parameters
    \n\n
      \n
    • obj (object):\nobject to be saved in the pickle file
      • \n
    • name (str):\nname of the file
      • \n
    • path (str):\nspecifies a custom path for the file (default '.')
      • \n
    \n", "signature": "(obj, name, **kwargs):", "funcdef": "def"}, "pyerrors.misc.load_object": {"fullname": "pyerrors.misc.load_object", "modulename": "pyerrors.misc", "qualname": "load_object", "type": "function", "doc": "
    Load object from pickle file.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the file
      • \n
    \n", "signature": "(path):", "funcdef": "def"}, "pyerrors.misc.pseudo_Obs": {"fullname": "pyerrors.misc.pseudo_Obs", "modulename": "pyerrors.misc", "qualname": "pseudo_Obs", "type": "function", "doc": "
    Generate an Obs object with given value, dvalue and name for test purposes
    \n\n
    Parameters
    \n\n
      \n
    • value (float):\ncentral value of the Obs to be generated.
      • \n
    • dvalue (float):\nerror of the Obs to be generated.
      • \n
    • name (str):\nname of the ensemble for which the Obs is to be generated.
      • \n
    • samples (int):\nnumber of samples for the Obs (default 1000).
      • \n
    \n", "signature": "(value, dvalue, name, samples=1000):", "funcdef": "def"}, "pyerrors.misc.gen_correlated_data": {"fullname": "pyerrors.misc.gen_correlated_data", "modulename": "pyerrors.misc", "qualname": "gen_correlated_data", "type": "function", "doc": "
    Generate observables with given covariance and autocorrelation times.
    \n\n
    Parameters
    \n\n
      \n
    • means (list):\nlist containing the mean value of each observable.
      • \n
    • cov (numpy.ndarray):\ncovariance matrix for the data to be generated.
      • \n
    • name (str):\nensemble name for the data to be geneated.
      • \n
    • tau (float or list):\ncan either be a real number or a list with an entry for\nevery dataset.
      • \n
    • samples (int):\nnumber of samples to be generated for each observable.
      • \n
    \n", "signature": "(means, cov, name, tau=0.5, samples=1000):", "funcdef": "def"}, "pyerrors.mpm": {"fullname": "pyerrors.mpm", "modulename": "pyerrors.mpm", "type": "module", "doc": "
    \n"}, "pyerrors.mpm.matrix_pencil_method": {"fullname": "pyerrors.mpm.matrix_pencil_method", "modulename": "pyerrors.mpm", "qualname": "matrix_pencil_method", "type": "function", "doc": "
    Matrix pencil method to extract k energy levels from data
    \n\n
    Implementation of the matrix pencil method based on\neq. (2.17) of Y. Hua, T. K. Sarkar, IEEE Trans. Acoust. 38, 814-824 (1990)
    \n\n
    Parameters
    \n\n
      \n
    • data (list):\ncan be a list of Obs for the analysis of a single correlator, or a list of lists\nof Obs if several correlators are to analyzed at once.
      • \n
    • k (int):\nNumber of states to extract (default 1).
      • \n
    • p (int):\nmatrix pencil parameter which filters noise. The optimal value is expected between\nlen(data)/3 and 2*len(data)/3. The computation is more expensive the closer p is\nto len(data)/2 but could possibly suppress more noise (default len(data)//2).
      • \n
    \n", "signature": "(corrs, k=1, p=None, **kwargs):", "funcdef": "def"}, "pyerrors.obs": {"fullname": "pyerrors.obs", "modulename": "pyerrors.obs", "type": "module", "doc": "
    \n"}, "pyerrors.obs.Obs": {"fullname": "pyerrors.obs.Obs", "modulename": "pyerrors.obs", "qualname": "Obs", "type": "class", "doc": "
    Class for a general observable.
    \n\n
    Instances of Obs are the basic objects of a pyerrors error analysis.\nThey are initialized with a list which contains arrays of samples for\ndifferent ensembles/replica and another list of same length which contains\nthe names of the ensembles/replica. Mathematical operations can be\nperformed on instances. The result is another instance of Obs. The error of\nan instance can be computed with the gamma_method. Also contains additional\nmethods for output and visualization of the error calculation.
    \n\n
    Attributes
    \n\n
      \n
    • S_global (float):\nStandard value for S (default 2.0)
      • \n
    • S_dict (dict):\nDictionary for S values. If an entry for a given ensemble\nexists this overwrites the standard value for that ensemble.
      • \n
    • tau_exp_global (float):\nStandard value for tau_exp (default 0.0)
      • \n
    • tau_exp_dict (dict):\nDictionary for tau_exp values. If an entry for a given ensemble exists\nthis overwrites the standard value for that ensemble.
      • \n
    • N_sigma_global (float):\nStandard value for N_sigma (default 1.0)
      • \n
    • N_sigma_dict (dict):\nDictionary for N_sigma values. If an entry for a given ensemble exists\nthis overwrites the standard value for that ensemble.
      • \n
    \n"}, "pyerrors.obs.Obs.__init__": {"fullname": "pyerrors.obs.Obs.__init__", "modulename": "pyerrors.obs", "qualname": "Obs.__init__", "type": "function", "doc": "
    Initialize Obs object.
    \n\n
    Parameters
    \n\n
      \n
    • samples (list):\nlist of numpy arrays containing the Monte Carlo samples
      • \n
    • names (list):\nlist of strings labeling the individual samples
      • \n
    • idl (list, optional):\nlist of ranges or lists on which the samples are defined
      • \n
    \n", "signature": "(samples, names, idl=None, **kwargs)"}, "pyerrors.obs.Obs.gamma_method": {"fullname": "pyerrors.obs.Obs.gamma_method", "modulename": "pyerrors.obs", "qualname": "Obs.gamma_method", "type": "function", "doc": "
    Estimate the error and related properties of the Obs.
    \n\n
    Parameters
    \n\n
      \n
    • S (float):\nspecifies a custom value for the parameter S (default 2.0).\nIf set to 0 it is assumed that the data exhibits no\nautocorrelation. In this case the error estimates coincides\nwith the sample standard error.
      • \n
    • tau_exp (float):\npositive value triggers the critical slowing down analysis\n(default 0.0).
      • \n
    • N_sigma (float):\nnumber of standard deviations from zero until the tail is\nattached to the autocorrelation function (default 1).
      • \n
    • fft (bool):\ndetermines whether the fft algorithm is used for the computation\nof the autocorrelation function (default True)
      • \n
    \n", "signature": "(self, **kwargs):", "funcdef": "def"}, "pyerrors.obs.Obs.details": {"fullname": "pyerrors.obs.Obs.details", "modulename": "pyerrors.obs", "qualname": "Obs.details", "type": "function", "doc": "
    Output detailed properties of the Obs.
    \n\n
    Parameters
    \n\n
      \n
    • ens_content (bool):\nprint details about the ensembles and replica if true.
      • \n
    \n", "signature": "(self, ens_content=True):", "funcdef": "def"}, "pyerrors.obs.Obs.reweight": {"fullname": "pyerrors.obs.Obs.reweight", "modulename": "pyerrors.obs", "qualname": "Obs.reweight", "type": "function", "doc": "
    Reweight the obs with given rewighting factors.
    \n\n
    Parameters
    \n\n
      \n
    • weight (Obs):\nReweighting factor. An Observable that has to be defined on a superset of the\nconfigurations in obs[i].idl for all i.
      • \n
    • all_configs (bool):\nif True, the reweighted observables are normalized by the average of\nthe reweighting factor on all configurations in weight.idl and not\non the configurations in obs[i].idl. Default False.
      • \n
    \n", "signature": "(self, weight):", "funcdef": "def"}, "pyerrors.obs.Obs.is_zero_within_error": {"fullname": "pyerrors.obs.Obs.is_zero_within_error", "modulename": "pyerrors.obs", "qualname": "Obs.is_zero_within_error", "type": "function", "doc": "
    Checks whether the observable is zero within 'sigma' standard errors.
    \n\n
    Parameters
    \n\n
      \n
    • sigma (int):\nNumber of standard errors used for the check.
      • \n
    • Works only properly when the gamma method was run.
      • \n
    \n", "signature": "(self, sigma=1):", "funcdef": "def"}, "pyerrors.obs.Obs.is_zero": {"fullname": "pyerrors.obs.Obs.is_zero", "modulename": "pyerrors.obs", "qualname": "Obs.is_zero", "type": "function", "doc": "
    Checks whether the observable is zero within a given tolerance.
    \n\n
    Parameters
    \n\n
      \n
    • atol (float):\nAbsolute tolerance (for details see numpy documentation).
      • \n
    \n", "signature": "(self, atol=1e-10):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_tauint": {"fullname": "pyerrors.obs.Obs.plot_tauint", "modulename": "pyerrors.obs", "qualname": "Obs.plot_tauint", "type": "function", "doc": "
    Plot integrated autocorrelation time for each ensemble.
    \n\n
    Parameters
    \n\n
      \n
    • save (str):\nsaves the figure to a file named 'save' if.
      • \n
    \n", "signature": "(self, save=None):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_rho": {"fullname": "pyerrors.obs.Obs.plot_rho", "modulename": "pyerrors.obs", "qualname": "Obs.plot_rho", "type": "function", "doc": "
    Plot normalized autocorrelation function time for each ensemble.
    \n\n
    Parameters
    \n\n
      \n
    • save (str):\nsaves the figure to a file named 'save' if.
      • \n
    \n", "signature": "(self, save=None):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_rep_dist": {"fullname": "pyerrors.obs.Obs.plot_rep_dist", "modulename": "pyerrors.obs", "qualname": "Obs.plot_rep_dist", "type": "function", "doc": "
    Plot replica distribution for each ensemble with more than one replicum.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_history": {"fullname": "pyerrors.obs.Obs.plot_history", "modulename": "pyerrors.obs", "qualname": "Obs.plot_history", "type": "function", "doc": "
    Plot derived Monte Carlo history for each ensemble
    \n\n
    Parameters
    \n\n
      \n
    • expand (bool):\nshow expanded history for irregular Monte Carlo chains (default: True).
      • \n
    \n", "signature": "(self, expand=True):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_piechart": {"fullname": "pyerrors.obs.Obs.plot_piechart", "modulename": "pyerrors.obs", "qualname": "Obs.plot_piechart", "type": "function", "doc": "
    Plot piechart which shows the fractional contribution of each\nensemble to the error and returns a dictionary containing the fractions.
    \n\n
    Parameters
    \n\n
      \n
    • save (str):\nsaves the figure to a file named 'save' if.
      • \n
    \n", "signature": "(self, save=None):", "funcdef": "def"}, "pyerrors.obs.Obs.dump": {"fullname": "pyerrors.obs.Obs.dump", "modulename": "pyerrors.obs", "qualname": "Obs.dump", "type": "function", "doc": "
    Dump the Obs to a file 'name' of chosen format.
    \n\n
    Parameters
    \n\n
      \n
    • filename (str):\nname of the file to be saved.
      • \n
    • datatype (str):\nFormat of the exported file. Supported formats include\n\"json.gz\" and \"pickle\"
      • \n
    • description (str):\nDescription for output file, only relevant for json.gz format.
      • \n
    • path (str):\nspecifies a custom path for the file (default '.')
      • \n
    \n", "signature": "(self, filename, datatype='json.gz', description='', **kwargs):", "funcdef": "def"}, "pyerrors.obs.Obs.export_jackknife": {"fullname": "pyerrors.obs.Obs.export_jackknife", "modulename": "pyerrors.obs", "qualname": "Obs.export_jackknife", "type": "function", "doc": "
    Export jackknife samples from the Obs
    \n\n
    Returns
    \n\n
      \n
    • numpy.ndarray: Returns a numpy array of length N + 1 where N is the number of samples\nfor the given ensemble and replicum. The zeroth entry of the array contains\nthe mean value of the Obs, entries 1 to N contain the N jackknife samples\nderived from the Obs. The current implementation only works for observables\ndefined on exactly one ensemble and replicum. The derived jackknife samples\nshould agree with samples from a full jackknife analysis up to O(1/N).
      • \n
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.sqrt": {"fullname": "pyerrors.obs.Obs.sqrt", "modulename": "pyerrors.obs", "qualname": "Obs.sqrt", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.log": {"fullname": "pyerrors.obs.Obs.log", "modulename": "pyerrors.obs", "qualname": "Obs.log", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.exp": {"fullname": "pyerrors.obs.Obs.exp", "modulename": "pyerrors.obs", "qualname": "Obs.exp", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.sin": {"fullname": "pyerrors.obs.Obs.sin", "modulename": "pyerrors.obs", "qualname": "Obs.sin", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.cos": {"fullname": "pyerrors.obs.Obs.cos", "modulename": "pyerrors.obs", "qualname": "Obs.cos", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.tan": {"fullname": "pyerrors.obs.Obs.tan", "modulename": "pyerrors.obs", "qualname": "Obs.tan", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arcsin": {"fullname": "pyerrors.obs.Obs.arcsin", "modulename": "pyerrors.obs", "qualname": "Obs.arcsin", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arccos": {"fullname": "pyerrors.obs.Obs.arccos", "modulename": "pyerrors.obs", "qualname": "Obs.arccos", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arctan": {"fullname": "pyerrors.obs.Obs.arctan", "modulename": "pyerrors.obs", "qualname": "Obs.arctan", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.sinh": {"fullname": "pyerrors.obs.Obs.sinh", "modulename": "pyerrors.obs", "qualname": "Obs.sinh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.cosh": {"fullname": "pyerrors.obs.Obs.cosh", "modulename": "pyerrors.obs", "qualname": "Obs.cosh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.tanh": {"fullname": "pyerrors.obs.Obs.tanh", "modulename": "pyerrors.obs", "qualname": "Obs.tanh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arcsinh": {"fullname": "pyerrors.obs.Obs.arcsinh", "modulename": "pyerrors.obs", "qualname": "Obs.arcsinh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arccosh": {"fullname": "pyerrors.obs.Obs.arccosh", "modulename": "pyerrors.obs", "qualname": "Obs.arccosh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arctanh": {"fullname": "pyerrors.obs.Obs.arctanh", "modulename": "pyerrors.obs", "qualname": "Obs.arctanh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.CObs": {"fullname": "pyerrors.obs.CObs", "modulename": "pyerrors.obs", "qualname": "CObs", "type": "class", "doc": "
    Class for a complex valued observable.
    \n"}, "pyerrors.obs.CObs.__init__": {"fullname": "pyerrors.obs.CObs.__init__", "modulename": "pyerrors.obs", "qualname": "CObs.__init__", "type": "function", "doc": "
    \n", "signature": "(real, imag=0.0)"}, "pyerrors.obs.CObs.gamma_method": {"fullname": "pyerrors.obs.CObs.gamma_method", "modulename": "pyerrors.obs", "qualname": "CObs.gamma_method", "type": "function", "doc": "
    Executes the gamma_method for the real and the imaginary part.
    \n", "signature": "(self, **kwargs):", "funcdef": "def"}, "pyerrors.obs.CObs.is_zero": {"fullname": "pyerrors.obs.CObs.is_zero", "modulename": "pyerrors.obs", "qualname": "CObs.is_zero", "type": "function", "doc": "
    Checks whether both real and imaginary part are zero within machine precision.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.CObs.conjugate": {"fullname": "pyerrors.obs.CObs.conjugate", "modulename": "pyerrors.obs", "qualname": "CObs.conjugate", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.derived_observable": {"fullname": "pyerrors.obs.derived_observable", "modulename": "pyerrors.obs", "qualname": "derived_observable", "type": "function", "doc": "
    Construct a derived Obs according to func(data, **kwargs) using automatic differentiation.
    \n\n
    Parameters
    \n\n
      \n
    • func (object):\narbitrary function of the form func(data, **kwargs). For the\nautomatic differentiation to work, all numpy functions have to have\nthe autograd wrapper (use 'import autograd.numpy as anp').
      • \n
    • data (list):\nlist of Obs, e.g. [obs1, obs2, obs3].
      • \n
    • num_grad (bool):\nif True, numerical derivatives are used instead of autograd\n(default False). To control the numerical differentiation the\nkwargs of numdifftools.step_generators.MaxStepGenerator\ncan be used.
      • \n
    • man_grad (list):\nmanually supply a list or an array which contains the jacobian\nof func. Use cautiously, supplying the wrong derivative will\nnot be intercepted.
      • \n
    \n\n
    Notes
    \n\n
    For simple mathematical operations it can be practical to use anonymous\nfunctions. For the ratio of two observables one can e.g. use
    \n\n
    new_obs = derived_observable(lambda x: x[0] / x[1], [obs1, obs2])
    \n", "signature": "(func, data, array_mode=False, **kwargs):", "funcdef": "def"}, "pyerrors.obs.reweight": {"fullname": "pyerrors.obs.reweight", "modulename": "pyerrors.obs", "qualname": "reweight", "type": "function", "doc": "
    Reweight a list of observables.
    \n\n
    Parameters
    \n\n
      \n
    • weight (Obs):\nReweighting factor. An Observable that has to be defined on a superset of the\nconfigurations in obs[i].idl for all i.
      • \n
    • obs (list):\nlist of Obs, e.g. [obs1, obs2, obs3].
      • \n
    • all_configs (bool):\nif True, the reweighted observables are normalized by the average of\nthe reweighting factor on all configurations in weight.idl and not\non the configurations in obs[i].idl. Default False.
      • \n
    \n", "signature": "(weight, obs, **kwargs):", "funcdef": "def"}, "pyerrors.obs.correlate": {"fullname": "pyerrors.obs.correlate", "modulename": "pyerrors.obs", "qualname": "correlate", "type": "function", "doc": "
    Correlate two observables.
    \n\n
    Parameters
    \n\n
      \n
    • obs_a (Obs):\nFirst observable
      • \n
    • obs_b (Obs):\nSecond observable
      • \n
    \n\n
    Notes
    \n\n
    Keep in mind to only correlate primary observables which have not been reweighted\nyet. The reweighting has to be applied after correlating the observables.\nCurrently only works if ensembles are identical (this is not strictly necessary).
    \n", "signature": "(obs_a, obs_b):", "funcdef": "def"}, "pyerrors.obs.covariance": {"fullname": "pyerrors.obs.covariance", "modulename": "pyerrors.obs", "qualname": "covariance", "type": "function", "doc": "
    Calculates the error covariance matrix of a set of observables.
    \n\n
    The gamma method has to be applied first to all observables.
    \n\n
    Parameters
    \n\n
      \n
    • obs (list or numpy.ndarray):\nList or one dimensional array of Obs
      • \n
    • visualize (bool):\nIf True plots the corresponding normalized correlation matrix (default False).
      • \n
    • correlation (bool):\nIf True the correlation matrix instead of the error covariance matrix is returned (default False).
      • \n
    • smooth (None or int):\nIf smooth is an integer 'E' between 2 and the dimension of the matrix minus 1 the eigenvalue\nsmoothing procedure of hep-lat/9412087 is applied to the correlation matrix which leaves the\nlargest E eigenvalues essentially unchanged and smoothes the smaller eigenvalues to avoid extremely\nsmall ones.
      • \n
    \n\n
    Notes
    \n\n
    The error covariance is defined such that it agrees with the squared standard error for two identical observables\n$$\\operatorname{cov}(a,a)=\\sum_{s=1}^N\\delta_a^s\\delta_a^s/N^2=\\Gamma_{aa}(0)/N=\\operatorname{var}(a)/N=\\sigma_a^2$$\nin the absence of autocorrelation.\nThe error covariance is estimated by calculating the correlation matrix assuming no autocorrelation and then rescaling the correlation matrix by the full errors including the previous gamma method estimate for the autocorrelation of the observables. The covariance at windowsize 0 is guaranteed to be positive semi-definite\n$$\\sum_{i,j}v_i\\Gamma_{ij}(0)v_j=\\frac{1}{N}\\sum_{s=1}^N\\sum_{i,j}v_i\\delta_i^s\\delta_j^s v_j=\\frac{1}{N}\\sum_{s=1}^N\\sum_{i}|v_i\\delta_i^s|^2\\geq 0\\,,$$ for every $v\\in\\mathbb{R}^M$, while such an identity does not hold for larger windows/lags.\nFor observables defined on a single ensemble our approximation is equivalent to assuming that the integrated autocorrelation time of an off-diagonal element is equal to the geometric mean of the integrated autocorrelation times of the corresponding diagonal elements.\n$$\\tau_{\\mathrm{int}, ij}=\\sqrt{\\tau_{\\mathrm{int}, i}\\times \\tau_{\\mathrm{int}, j}}$$\nThis construction ensures that the estimated covariance matrix is positive semi-definite (up to numerical rounding errors).
    \n", "signature": "(obs, visualize=False, correlation=False, smooth=None, **kwargs):", "funcdef": "def"}, "pyerrors.obs.import_jackknife": {"fullname": "pyerrors.obs.import_jackknife", "modulename": "pyerrors.obs", "qualname": "import_jackknife", "type": "function", "doc": "
    Imports jackknife samples and returns an Obs
    \n\n
    Parameters
    \n\n
      \n
    • jacks (numpy.ndarray):\nnumpy array containing the mean value as zeroth entry and\nthe N jackknife samples as first to Nth entry.
      • \n
    • name (str):\nname of the ensemble the samples are defined on.
      • \n
    \n", "signature": "(jacks, name, idl=None):", "funcdef": "def"}, "pyerrors.obs.merge_obs": {"fullname": "pyerrors.obs.merge_obs", "modulename": "pyerrors.obs", "qualname": "merge_obs", "type": "function", "doc": "
    Combine all observables in list_of_obs into one new observable
    \n\n
    Parameters
    \n\n
      \n
    • list_of_obs (list):\nlist of the Obs object to be combined
      • \n
    \n\n
    Notes
    \n\n
    It is not possible to combine obs which are based on the same replicum
    \n", "signature": "(list_of_obs):", "funcdef": "def"}, "pyerrors.obs.cov_Obs": {"fullname": "pyerrors.obs.cov_Obs", "modulename": "pyerrors.obs", "qualname": "cov_Obs", "type": "function", "doc": "
    Create an Obs based on mean(s) and a covariance matrix
    \n\n
    Parameters
    \n\n
      \n
    • mean (list of floats or float):\nN mean value(s) of the new Obs
      • \n
    • cov (list or array):\n2d (NxN) Covariance matrix, 1d diagonal entries or 0d covariance
      • \n
    • name (str):\nidentifier for the covariance matrix
      • \n
    • grad (list or array):\nGradient of the Covobs wrt. the means belonging to cov.
      • \n
    \n", "signature": "(means, cov, name, grad=None):", "funcdef": "def"}, "pyerrors.roots": {"fullname": "pyerrors.roots", "modulename": "pyerrors.roots", "type": "module", "doc": "
    \n"}, "pyerrors.roots.find_root": {"fullname": "pyerrors.roots.find_root", "modulename": "pyerrors.roots", "qualname": "find_root", "type": "function", "doc": "
    Finds the root of the function func(x, d) where d is an Obs.
    \n\n
    Parameters
    \n\n
      \n
    • d (Obs):\nObs passed to the function.
      • \n
    • func (object):\nFunction to be minimized. Any numpy functions have to use the autograd.numpy wrapper.\nExample:
      \n\n
      \n
      import autograd.numpy as anp\ndef root_func(x, d):\n   return anp.exp(-x ** 2) - d\n
      \n
      • \n
    • guess (float):\nInitial guess for the minimization.
      • \n
    \n\n
    Returns
    \n\n
      \n
    • Obs: Obs valued root of the function.
      • \n
    \n", "signature": "(d, func, guess=1.0, **kwargs):", "funcdef": "def"}, "pyerrors.version": {"fullname": "pyerrors.version", "modulename": "pyerrors.version", "type": "module", "doc": "
    \n"}}, "docInfo": {"pyerrors": {"qualname": 0, "fullname": 1, "annotation": 0, "default_value": 0, "signature": 0, "bases": 0, "doc": 8007}, "pyerrors.correlators": {"qualname": 0, "fullname": 2, "annotation": 0, "default_value": 0, "signature": 0, "bases": 0, "doc": 3}, "pyerrors.correlators.Corr": {"qualname": 1, "fullname": 3, "annotation": 0, "default_value": 0, "signature": 0, "bases": 0, "doc": 108}, "pyerrors.correlators.Corr.__init__": {"qualname": 3, "fullname": 5, "annotation": 0, "default_value": 0, "signature": 40, "bases": 0, "doc": 94}, "pyerrors.correlators.Corr.gamma_method": {"qualname": 3, "fullname": 5, "annotation": 0, "default_value": 0, "signature": 18, "bases": 0, "doc": 13}, "pyerrors.correlators.Corr.projected": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 43, "bases": 0, "doc": 64}, "pyerrors.correlators.Corr.item": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 21, "bases": 0, "doc": 53}, "pyerrors.correlators.Corr.plottable": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 11, "bases": 0, "doc": 31}, "pyerrors.correlators.Corr.symmetric": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 11, "bases": 0, "doc": 9}, "pyerrors.correlators.Corr.anti_symmetric": {"qualname": 3, "fullname": 5, "annotation": 0, "default_value": 0, "signature": 11, "bases": 0, "doc": 10}, "pyerrors.correlators.Corr.is_matrix_symmetric": {"qualname": 4, "fullname": 6, "annotation": 0, "default_value": 0, "signature": 11, "bases": 0, "doc": 13}, "pyerrors.correlators.Corr.matrix_symmetric": {"qualname": 3, "fullname": 5, "annotation": 0, "default_value": 0, "signature": 11, "bases": 0, "doc": 10}, "pyerrors.correlators.Corr.GEVP": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 47, "bases": 0, "doc": 326}, "pyerrors.correlators.Corr.Eigenvalue": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 50, "bases": 0, "doc": 59}, "pyerrors.correlators.Corr.Hankel": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 26, "bases": 0, "doc": 67}, "pyerrors.correlators.Corr.roll": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 16, "bases": 0, "doc": 26}, "pyerrors.correlators.Corr.reverse": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 11, "bases": 0, "doc": 9}, "pyerrors.correlators.Corr.thin": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 31, "bases": 0, "doc": 43}, "pyerrors.correlators.Corr.correlate": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 16, "bases": 0, "doc": 53}, "pyerrors.correlators.Corr.reweight": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 23, "bases": 0, "doc": 79}, "pyerrors.correlators.Corr.T_symmetry": {"qualname": 3, "fullname": 5, "annotation": 0, "default_value": 0, "signature": 26, "bases": 0, "doc": 51}, "pyerrors.correlators.Corr.deriv": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 25, "bases": 0, "doc": 46}, "pyerrors.correlators.Corr.second_deriv": {"qualname": 3, "fullname": 5, "annotation": 0, "default_value": 0, "signature": 25, "bases": 0, "doc": 44}, "pyerrors.correlators.Corr.m_eff": {"qualname": 3, "fullname": 5, "annotation": 0, "default_value": 0, "signature": 36, "bases": 0, "doc": 135}, "pyerrors.correlators.Corr.fit": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 43, "bases": 0, "doc": 110}, "pyerrors.correlators.Corr.plateau": {"qualname": 2, "fullname": 4, "annotation": 0, "default_value": 0, "signature": 47, "bases": 0, "doc": 92}, "pyerrors.correlators.Corr.set_prange": {"qualname": 3, "fullname": 5, "annotation": 0, "default_value": 0, "signature": 16, "bases": 0, "doc": 11}, "pyerrors.correlators.Corr.show": 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+    /** pdoc search index */const docs = {"version": "0.9.5", "fields": ["qualname", "fullname", "annotation", "default_value", "signature", "bases", "doc"], "ref": "fullname", "documentStore": {"docs": {"pyerrors": {"fullname": "pyerrors", "modulename": "pyerrors", "type": "module", "doc": "
    What is pyerrors?
    \n\n
    pyerrors is a python package for error computation and propagation of Markov chain Monte Carlo data.\nIt is based on the gamma method arXiv:hep-lat/0306017. Some of its features are:
    \n\n
      \n
    • automatic differentiation for exact linear error propagation as suggested in arXiv:1809.01289 (partly based on the autograd package).
      • \n
    • treatment of slow modes in the simulation as suggested in arXiv:1009.5228.
      • \n
    • coherent error propagation for data from different Markov chains.
      • \n
    • non-linear fits with x- and y-errors and exact linear error propagation based on automatic differentiation as introduced in arXiv:1809.01289.
      • \n
    • real and complex matrix operations and their error propagation based on automatic differentiation (Matrix inverse, Cholesky decomposition, calculation of eigenvalues and eigenvectors, singular value decomposition...).
      • \n
    \n\n
    More detailed examples can found in the GitHub repository \"badge\".
    \n\n
    If you use pyerrors for research that leads to a publication please consider citing:
    \n\n
      \n
    • Fabian Joswig, Simon Kuberski, Justus T. Kuhlmann, Jan Neuendorf, pyerrors: a python framework for error analysis of Monte Carlo data. [arXiv:2209.14371 [hep-lat]].
      • \n
    • Ulli Wolff, Monte Carlo errors with less errors. Comput.Phys.Commun. 156 (2004) 143-153, Comput.Phys.Commun. 176 (2007) 383 (erratum).
      • \n
    • Alberto Ramos, Automatic differentiation for error analysis of Monte Carlo data. Comput.Phys.Commun. 238 (2019) 19-35.
      • \n
    \n\n
    and
    \n\n
      \n
    • Stefan Schaefer, Rainer Sommer, Francesco Virotta, Critical slowing down and error analysis in lattice QCD simulations. Nucl.Phys.B 845 (2011) 93-119.
      • \n
    \n\n
    where applicable.
    \n\n
    There exist similar publicly available implementations of gamma method error analysis suites in Fortran, Julia and Python.
    \n\n
    Basic example
    \n\n
    \n
    import numpy as np\nimport pyerrors as pe\n\nmy_obs = pe.Obs([samples], ['ensemble_name']) # Initialize an Obs object\nmy_new_obs = 2 * np.log(my_obs) / my_obs ** 2 # Construct derived Obs object\nmy_new_obs.gamma_method()                     # Estimate the statistical error\nprint(my_new_obs)                             # Print the result to stdout\n> 0.31498(72)\n
    \n
    \n\n
    The Obs class
    \n\n
    pyerrors introduces a new datatype, Obs, which simplifies error propagation and estimation for auto- and cross-correlated data.\nAn Obs object can be initialized with two arguments, the first is a list containing the samples for an observable from a Monte Carlo chain.\nThe samples can either be provided as python list or as numpy array.\nThe second argument is a list containing the names of the respective Monte Carlo chains as strings. These strings uniquely identify a Monte Carlo chain/ensemble.
    \n\n
    \n
    import pyerrors as pe\n\nmy_obs = pe.Obs([samples], ['ensemble_name'])\n
    \n
    \n\n
    Error propagation
    \n\n
    When performing mathematical operations on Obs objects the correct error propagation is intrinsically taken care of using a first order Taylor expansion\n$$\\delta_f^i=\\sum_\\alpha \\bar{f}_\\alpha \\delta_\\alpha^i\\,,\\quad \\delta_\\alpha^i=a_\\alpha^i-\\bar{a}_\\alpha\\,,$$\nas introduced in arXiv:hep-lat/0306017.\nThe required derivatives $\\bar{f}_\\alpha$ are evaluated up to machine precision via automatic differentiation as suggested in arXiv:1809.01289.
    \n\n
    The Obs class is designed such that mathematical numpy functions can be used on Obs just as for regular floats.
    \n\n
    \n
    import numpy as np\nimport pyerrors as pe\n\nmy_obs1 = pe.Obs([samples1], ['ensemble_name'])\nmy_obs2 = pe.Obs([samples2], ['ensemble_name'])\n\nmy_sum = my_obs1 + my_obs2\n\nmy_m_eff = np.log(my_obs1 / my_obs2)\n\niamzero = my_m_eff - my_m_eff\n# Check that value and fluctuations are zero within machine precision\nprint(iamzero == 0.0)\n> True\n
    \n
    \n\n
    Error estimation
    \n\n
    The error estimation within pyerrors is based on the gamma method introduced in arXiv:hep-lat/0306017.\nAfter having arrived at the derived quantity of interest the gamma_method can be called as detailed in the following example.
    \n\n
    \n
    my_sum.gamma_method()\nprint(my_sum)\n> 1.70(57)\nmy_sum.details()\n> Result         1.70000000e+00 +/- 5.72046658e-01 +/- 7.56746598e-02 (33.650%)\n>  t_int         2.71422900e+00 +/- 6.40320983e-01 S = 2.00\n> 1000 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble_name' : 1000 configurations (from 1 to 1000)\n
    \n
    \n\n
    We use the following definition of the integrated autocorrelation time established in Madras & Sokal 1988\n$$\\tau_\\mathrm{int}=\\frac{1}{2}+\\sum_{t=1}^{W}\\rho(t)\\geq \\frac{1}{2}\\,.$$\nThe window $W$ is determined via the automatic windowing procedure described in arXiv:hep-lat/0306017.\nThe standard value for the parameter $S$ of this automatic windowing procedure is $S=2$. Other values for $S$ can be passed to the gamma_method as parameter.
    \n\n
    \n
    my_sum.gamma_method(S=3.0)\nmy_sum.details()\n> Result         1.70000000e+00 +/- 6.30675201e-01 +/- 1.04585650e-01 (37.099%)\n>  t_int         3.29909703e+00 +/- 9.77310102e-01 S = 3.00\n> 1000 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble_name' : 1000 configurations (from 1 to 1000)\n
    \n
    \n\n
    The integrated autocorrelation time $\\tau_\\mathrm{int}$ and the autocorrelation function $\\rho(W)$ can be monitored via the methods pyerrors.obs.Obs.plot_tauint and pyerrors.obs.Obs.plot_rho.
    \n\n
    If the parameter $S$ is set to zero it is assumed that the dataset does not exhibit any autocorrelation and the window size is chosen to be zero.\nIn this case the error estimate is identical to the sample standard error.
    \n\n
    Exponential tails
    \n\n
    Slow modes in the Monte Carlo history can be accounted for by attaching an exponential tail to the autocorrelation function $\\rho$ as suggested in arXiv:1009.5228. The longest autocorrelation time in the history, $\\tau_\\mathrm{exp}$, can be passed to the gamma_method as parameter. In this case the automatic windowing procedure is vacated and the parameter $S$ does not affect the error estimate.
    \n\n
    \n
    my_sum.gamma_method(tau_exp=7.2)\nmy_sum.details()\n> Result         1.70000000e+00 +/- 6.28097762e-01 +/- 5.79077524e-02 (36.947%)\n>  t_int         3.27218667e+00 +/- 7.99583654e-01 tau_exp = 7.20,  N_sigma = 1\n> 1000 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble_name' : 1000 configurations (from 1 to 1000)\n
    \n
    \n\n
    For the full API see pyerrors.obs.Obs.gamma_method.
    \n\n
    Multiple ensembles/replica
    \n\n
    Error propagation for multiple ensembles (Markov chains with different simulation parameters) is handled automatically. Ensembles are uniquely identified by their name.
    \n\n
    \n
    obs1 = pe.Obs([samples1], ['ensemble1'])\nobs2 = pe.Obs([samples2], ['ensemble2'])\n\nmy_sum = obs1 + obs2\nmy_sum.details()\n> Result   2.00697958e+00\n> 1500 samples in 2 ensembles:\n>   \u00b7 Ensemble 'ensemble1' : 1000 configurations (from 1 to 1000)\n>   \u00b7 Ensemble 'ensemble2' : 500 configurations (from 1 to 500)\n
    \n
    \n\n
    pyerrors identifies multiple replica (independent Markov chains with identical simulation parameters) by the vertical bar | in the name of the data set.
    \n\n
    \n
    obs1 = pe.Obs([samples1], ['ensemble1|r01'])\nobs2 = pe.Obs([samples2], ['ensemble1|r02'])\n\n> my_sum = obs1 + obs2\n> my_sum.details()\n> Result   2.00697958e+00\n> 1500 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble1'\n>     \u00b7 Replicum 'r01' : 1000 configurations (from 1 to 1000)\n>     \u00b7 Replicum 'r02' : 500 configurations (from 1 to 500)\n
    \n
    \n\n
    Error estimation for multiple ensembles
    \n\n
    In order to keep track of different error analysis parameters for different ensembles one can make use of global dictionaries as detailed in the following example.
    \n\n
    \n
    pe.Obs.S_dict['ensemble1'] = 2.5\npe.Obs.tau_exp_dict['ensemble2'] = 8.0\npe.Obs.tau_exp_dict['ensemble3'] = 2.0\n
    \n
    \n\n
    In case the gamma_method is called without any parameters it will use the values specified in the dictionaries for the respective ensembles.\nPassing arguments to the gamma_method still dominates over the dictionaries.
    \n\n
    Irregular Monte Carlo chains
    \n\n
    Obs objects defined on irregular Monte Carlo chains can be initialized with the parameter idl.
    \n\n
    \n
    # Observable defined on configurations 20 to 519\nobs1 = pe.Obs([samples1], ['ensemble1'], idl=[range(20, 520)])\nobs1.details()\n> Result         9.98319881e-01\n> 500 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble1' : 500 configurations (from 20 to 519)\n\n# Observable defined on every second configuration between 5 and 1003\nobs2 = pe.Obs([samples2], ['ensemble1'], idl=[range(5, 1005, 2)])\nobs2.details()\n> Result         9.99100712e-01\n> 500 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble1' : 500 configurations (from 5 to 1003 in steps of 2)\n\n# Observable defined on configurations 2, 9, 28, 29 and 501\nobs3 = pe.Obs([samples3], ['ensemble1'], idl=[[2, 9, 28, 29, 501]])\nobs3.details()\n> Result         1.01718064e+00\n> 5 samples in 1 ensemble:\n>   \u00b7 Ensemble 'ensemble1' : 5 configurations (irregular range)\n
    \n
    \n\n
    Obs objects defined on regular and irregular histories of the same ensemble can be combined with each other and the correct error propagation and estimation is automatically taken care of.
    \n\n
    Warning: Irregular Monte Carlo chains can result in odd patterns in the autocorrelation functions.\nMake sure to check the autocorrelation time with e.g. pyerrors.obs.Obs.plot_rho or pyerrors.obs.Obs.plot_tauint.
    \n\n
    For the full API see pyerrors.obs.Obs.
    \n\n
    Correlators
    \n\n
    When one is not interested in single observables but correlation functions, pyerrors offers the Corr class which simplifies the corresponding error propagation and provides the user with a set of standard methods. In order to initialize a Corr objects one needs to arrange the data as a list of Obs
    \n\n
    \n
    my_corr = pe.Corr([obs_0, obs_1, obs_2, obs_3])\nprint(my_corr)\n> x0/a  Corr(x0/a)\n> ------------------\n> 0      0.7957(80)\n> 1      0.5156(51)\n> 2      0.3227(33)\n> 3      0.2041(21)\n
    \n
    \n\n
    In case the correlation functions are not defined on the outermost timeslices, for example because of fixed boundary conditions, a padding can be introduced.
    \n\n
    \n
    my_corr = pe.Corr([obs_0, obs_1, obs_2, obs_3], padding=[1, 1])\nprint(my_corr)\n> x0/a  Corr(x0/a)\n> ------------------\n> 0\n> 1      0.7957(80)\n> 2      0.5156(51)\n> 3      0.3227(33)\n> 4      0.2041(21)\n> 5\n
    \n
    \n\n
    The individual entries of a correlator can be accessed via slicing
    \n\n
    \n
    print(my_corr[3])\n> 0.3227(33)\n
    \n
    \n\n
    Error propagation with the Corr class works very similar to Obs objects. Mathematical operations are overloaded and Corr objects can be computed together with other Corr objects, Obs objects or real numbers and integers.
    \n\n
    \n
    my_new_corr = 0.3 * my_corr[2] * my_corr * my_corr + 12 / my_corr\n
    \n
    \n\n
    pyerrors provides the user with a set of regularly used methods for the manipulation of correlator objects:
    \n\n
      \n
    • Corr.gamma_method applies the gamma method to all entries of the correlator.
      • \n
    • Corr.m_eff to construct effective masses. Various variants for periodic and fixed temporal boundary conditions are available.
      • \n
    • Corr.deriv returns the first derivative of the correlator as Corr. Different discretizations of the numerical derivative are available.
      • \n
    • Corr.second_deriv returns the second derivative of the correlator as Corr. Different discretizations of the numerical derivative are available.
      • \n
    • Corr.symmetric symmetrizes parity even correlations functions, assuming periodic boundary conditions.
      • \n
    • Corr.anti_symmetric anti-symmetrizes parity odd correlations functions, assuming periodic boundary conditions.
      • \n
    • Corr.T_symmetry averages a correlator with its time symmetry partner, assuming fixed boundary conditions.
      • \n
    • Corr.plateau extracts a plateau value from the correlator in a given range.
      • \n
    • Corr.roll periodically shifts the correlator.
      • \n
    • Corr.reverse reverses the time ordering of the correlator.
      • \n
    • Corr.correlate constructs a disconnected correlation function from the correlator and another Corr or Obs object.
      • \n
    • Corr.reweight reweights the correlator.
      • \n
    \n\n
    pyerrors can also handle matrices of correlation functions and extract energy states from these matrices via a generalized eigenvalue problem (see pyerrors.correlators.Corr.GEVP).
    \n\n
    For the full API see pyerrors.correlators.Corr.
    \n\n
    Complex valued observables
    \n\n
    pyerrors can handle complex valued observables via the class pyerrors.obs.CObs.\nCObs are initialized with a real and an imaginary part which both can be Obs valued.
    \n\n
    \n
    my_real_part = pe.Obs([samples1], ['ensemble1'])\nmy_imag_part = pe.Obs([samples2], ['ensemble1'])\n\nmy_cobs = pe.CObs(my_real_part, my_imag_part)\nmy_cobs.gamma_method()\nprint(my_cobs)\n> (0.9959(91)+0.659(28)j)\n
    \n
    \n\n
    Elementary mathematical operations are overloaded and samples are properly propagated as for the Obs class.
    \n\n
    \n
    my_derived_cobs = (my_cobs + my_cobs.conjugate()) / np.abs(my_cobs)\nmy_derived_cobs.gamma_method()\nprint(my_derived_cobs)\n> (1.668(23)+0.0j)\n
    \n
    \n\n
    The Covobs class
    \n\n
    In many projects, auxiliary data that is not based on Monte Carlo chains enters. Examples are experimentally determined mesons masses which are used to set the scale or renormalization constants. These numbers come with an error that has to be propagated through the analysis. The Covobs class allows to define such quantities in pyerrors. Furthermore, external input might consist of correlated quantities. An example are the parameters of an interpolation formula, which are defined via mean values and a covariance matrix between all parameters. The contribution of the interpolation formula to the error of a derived quantity therefore might depend on the complete covariance matrix.
    \n\n
    This concept is built into the definition of Covobs. In pyerrors, external input is defined by $M$ mean values, a $M\\times M$ covariance matrix, where $M=1$ is permissible, and a name that uniquely identifies the covariance matrix. Below, we define the pion mass, based on its mean value and error, 134.9768(5). Note, that the square of the error enters cov_Obs, since the second argument of this function is the covariance matrix of the Covobs.
    \n\n
    \n
    import pyerrors.obs as pe\n\nmpi = pe.cov_Obs(134.9768, 0.0005**2, 'pi^0 mass')\nmpi.gamma_method()\nmpi.details()\n> Result         1.34976800e+02 +/- 5.00000000e-04 +/- 0.00000000e+00 (0.000%)\n>  pi^0 mass     5.00000000e-04\n> 0 samples in 1 ensemble:\n>   \u00b7 Covobs   'pi^0 mass'\n
    \n
    \n\n
    The resulting object mpi is an Obs that contains a Covobs. In the following, it may be handled as any other Obs. The contribution of the covariance matrix to the error of an Obs is determined from the $M \\times M$ covariance matrix $\\Sigma$ and the gradient of the Obs with respect to the external quantities, which is the $1\\times M$ Jacobian matrix $J$, via\n$$s = \\sqrt{J^T \\Sigma J}\\,,$$\nwhere the Jacobian is computed for each derived quantity via automatic differentiation.
    \n\n
    Correlated auxiliary data is defined similarly to above, e.g., via
    \n\n
    \n
    RAP = pe.cov_Obs([16.7457, -19.0475], [[3.49591, -6.07560], [-6.07560, 10.5834]], 'R_AP, 1906.03445, (5.3a)')\nprint(RAP)\n> [Obs[16.7(1.9)], Obs[-19.0(3.3)]]\n
    \n
    \n\n
    where RAP now is a list of two Obs that contains the two correlated parameters.
    \n\n
    Since the gradient of a derived observable with respect to an external covariance matrix is propagated through the entire analysis, the Covobs class allows to quote the derivative of a result with respect to the external quantities. If these derivatives are published together with the result, small shifts in the definition of external quantities, e.g., the definition of the physical point, can be performed a posteriori based on the published information. This may help to compare results of different groups. The gradient of an Obs o with respect to a covariance matrix with the identifying string k may be accessed via
    \n\n
    \n
    o.covobs[k].grad\n
    \n
    \n\n
    Error propagation in iterative algorithms
    \n\n
    pyerrors supports exact linear error propagation for iterative algorithms like various variants of non-linear least squares fits or root finding. The derivatives required for the error propagation are calculated as described in arXiv:1809.01289.
    \n\n
    Least squares fits
    \n\n
    Standard non-linear least square fits with errors on the dependent but not the independent variables can be performed with pyerrors.fits.least_squares. As default solver the Levenberg-Marquardt algorithm implemented in scipy is used.
    \n\n
    Fit functions have to be of the following form
    \n\n
    \n
    import autograd.numpy as anp\n\ndef func(a, x):\n    return a[1] * anp.exp(-a[0] * x)\n
    \n
    \n\n
    It is important that numerical functions refer to autograd.numpy instead of numpy for the automatic differentiation in iterative algorithms to work properly.
    \n\n
    Fits can then be performed via
    \n\n
    \n
    fit_result = pe.fits.least_squares(x, y, func)\nprint("\\n", fit_result)\n> Fit with 2 parameters\n> Method: Levenberg-Marquardt\n> `ftol` termination condition is satisfied.\n> chisquare/d.o.f.: 0.9593035785160936\n\n>  Goodness of fit:\n> \u03c7\u00b2/d.o.f. = 0.959304\n> p-value   = 0.5673\n> Fit parameters:\n> 0      0.0548(28)\n> 1      1.933(64)\n
    \n
    \n\n
    where x is a list or numpy.array of floats and y is a list or numpy.array of Obs.
    \n\n
    Data stored in Corr objects can be fitted directly using the Corr.fit method.
    \n\n
    \n
    my_corr = pe.Corr(y)\nfit_result = my_corr.fit(func, fitrange=[12, 25])\n
    \n
    \n\n
    this can simplify working with absolute fit ranges and takes care of gaps in the data automatically.
    \n\n
    For fit functions with multiple independent variables the fit function can be of the form
    \n\n
    \n
    def func(a, x):\n    (x1, x2) = x\n    return a[0] * x1 ** 2 + a[1] * x2\n
    \n
    \n\n
    pyerrors also supports correlated fits which can be triggered via the parameter correlated_fit=True.\nDetails about how the required covariance matrix is estimated can be found in pyerrors.obs.covariance.
    \n\n
    Direct visualizations of the performed fits can be triggered via resplot=True or qqplot=True. For all available options see pyerrors.fits.least_squares.
    \n\n
    Total least squares fits
    \n\n
    pyerrors can also fit data with errors on both the dependent and independent variables using the total least squares method also referred to orthogonal distance regression as implemented in scipy, see pyerrors.fits.least_squares. The syntax is identical to the standard least squares case, the only difference being that x also has to be a list or numpy.array of Obs.
    \n\n
    For the full API see pyerrors.fits for fits and pyerrors.roots for finding roots of functions.
    \n\n
    Matrix operations
    \n\n
    pyerrors provides wrappers for Obs- and CObs-valued matrix operations based on numpy.linalg. The supported functions include:
    \n\n
      \n
    • inv for the matrix inverse.
      • \n
    • cholseky for the Cholesky decomposition.
      • \n
    • det for the matrix determinant.
      • \n
    • eigh for eigenvalues and eigenvectors of hermitean matrices.
      • \n
    • eig for eigenvalues of general matrices.
      • \n
    • pinv for the Moore-Penrose pseudoinverse.
      • \n
    • svd for the singular-value-decomposition.
      • \n
    \n\n
    For the full API see pyerrors.linalg.
    \n\n
    Export data
    \n\n
    The preferred exported file format within pyerrors is json.gz. Files written to this format are valid JSON files that have been compressed using gzip. The structure of the content is inspired by the dobs format of the ALPHA collaboration. The aim of the format is to facilitate the storage of data in a self-contained way such that, even years after the creation of the file, it is possible to extract all necessary information:
    \n\n
      \n
    • What observables are stored? Possibly: How exactly are they defined.
      • \n
    • How does each single ensemble or external quantity contribute to the error of the observable?
      • \n
    • Who did write the file when and on which machine?
      • \n
    \n\n
    This can be achieved by storing all information in one single file. The export routines of pyerrors are written such that as much information as possible is written automatically as described in the following example
    \n\n
    \n
    my_obs = pe.Obs([samples], ["test_ensemble"])\nmy_obs.tag = "My observable"\n\npe.input.json.dump_to_json(my_obs, "test_output_file", description="This file contains a test observable")\n# For a single observable one can equivalently use the class method dump\nmy_obs.dump("test_output_file", description="This file contains a test observable")\n\ncheck = pe.input.json.load_json("test_output_file")\n\nprint(my_obs == check)\n> True\n
    \n
    \n\n
    The format also allows to directly write out the content of Corr objects or lists and arrays of Obs objects by passing the desired data to pyerrors.input.json.dump_to_json.
    \n\n
    json.gz format specification
    \n\n
    The first entries of the file provide optional auxiliary information:
    \n\n
      \n
    • program is a string that indicates which program was used to write the file.
      • \n
    • version is a string that specifies the version of the format.
      • \n
    • who is a string that specifies the user name of the creator of the file.
      • \n
    • date is a string and contains the creation date of the file.
      • \n
    • host is a string and contains the hostname of the machine where the file has been written.
      • \n
    • description contains information on the content of the file. This field is not filled automatically in pyerrors. The user is advised to provide as detailed information as possible in this field. Examples are: Input files of measurements or simulations, LaTeX formulae or references to publications to specify how the observables have been computed, details on the analysis strategy, ... This field may be any valid JSON type. Strings, arrays or objects (equivalent to dicts in python) are well suited to provide information.
      • \n
    \n\n
    The only necessary entry of the file is the field\n-obsdata, an array that contains the actual data.
    \n\n
    Each entry of the array belongs to a single structure of observables. Currently, these structures can be either of Obs, list, numpy.ndarray, Corr. All Obs inside a structure (with dimension > 0) have to be defined on the same set of configurations. Different structures, that are represented by entries of the array obsdata, are treated independently. Each entry of the array obsdata has the following required entries:
    \n\n
      \n
    • type is a string that specifies the type of the structure. This allows to parse the content to the correct form after reading the file. It is always possible to interpret the content as list of Obs.
      • \n
    • value is an array that contains the mean values of the Obs inside the structure.\nThe following entries are optional:
      • \n
    • layout is a string that specifies the layout of multi-dimensional structures. Examples are \"2, 2\" for a 2x2 dimensional matrix or  \"64, 4, 4\" for a Corr with $T=64$ and 4x4 matrices on each time slices. \"1\" denotes a single Obs. Multi-dimensional structures are stored in row-major format (see below).
      • \n
    • tag is any JSON type. It contains additional information concerning the structure. The tag of an Obs in pyerrors is written here.
      • \n
    • reweighted is a Bool that may be used to specify, whether the Obs in the structure have been reweighted.
      • \n
    • data is an array that contains the data from MC chains. We will define it below.
      • \n
    • cdata is an array that contains the data from external quantities with an error (Covobs in pyerrors). We will define it below.
      • \n
    \n\n
    The array data contains the data from MC chains. Each entry of the array corresponds to one ensemble and contains:
    \n\n
      \n
    • id, a string that contains the name of the ensemble
      • \n
    • replica, an array that contains an entry per replica of the ensemble.
      • \n
    \n\n
    Each entry of replica contains\nname, a string that contains the name of the replica\ndeltas, an array that contains the actual data.
    \n\n
    Each entry in deltas corresponds to one configuration of the replica and has $1+N$ many entries. The first entry is an integer that specifies the configuration number that, together with ensemble and replica name, may be used to uniquely identify the configuration on which the data has been obtained. The following N entries specify the deltas, i.e., the deviation of the observable from the mean value on this configuration, of each Obs inside the structure. Multi-dimensional structures are stored in a row-major format. For primary observables, such as correlation functions, $value + delta_i$ matches the primary data obtained on the configuration.
    \n\n
    The array cdata contains information about the contribution of auxiliary observables, represented by Covobs in pyerrors, to the total error of the observables. Each entry of the array belongs to one auxiliary covariance matrix and contains:
    \n\n
      \n
    • id, a string that identifies the covariance matrix
      • \n
    • layout, a string that defines the dimensions of the $M\\times M$ covariance matrix (has to be \"M, M\" or \"1\").
      • \n
    • cov, an array that contains the $M\\times M$ many entries of the covariance matrix, stored in row-major format.
      • \n
    • grad, an array that contains N entries, one for each Obs inside the structure. Each entry itself is an array, that contains the M gradients of the Nth observable  with respect to the quantity that corresponds to the Mth diagonal entry of the covariance matrix.
      • \n
    \n\n
    A JSON schema that may be used to verify the correctness of a file with respect to the format definition is stored in ./examples/json_schema.json. The schema is a self-descriptive format definition and contains an exemplary file.
    \n\n
    Julia I/O routines for the json.gz format, compatible with ADerrors.jl, can be found here.
    \n"}, "pyerrors.correlators": {"fullname": "pyerrors.correlators", "modulename": "pyerrors.correlators", "type": "module", "doc": "
    \n"}, "pyerrors.correlators.Corr": {"fullname": "pyerrors.correlators.Corr", "modulename": "pyerrors.correlators", "qualname": "Corr", "type": "class", "doc": "
    The class for a correlator (time dependent sequence of pe.Obs).
    \n\n
    Everything, this class does, can be achieved using lists or arrays of Obs.\nBut it is simply more convenient to have a dedicated object for correlators.\nOne often wants to add or multiply correlators of the same length at every timeslice and it is inconvenient\nto iterate over all timeslices for every operation. This is especially true, when dealing with matrices.
    \n\n
    The correlator can have two types of content: An Obs at every timeslice OR a GEVP\nmatrix at every timeslice. Other dependency (eg. spatial) are not supported.
    \n"}, "pyerrors.correlators.Corr.__init__": {"fullname": "pyerrors.correlators.Corr.__init__", "modulename": "pyerrors.correlators", "qualname": "Corr.__init__", "type": "function", "doc": "
    Initialize a Corr object.
    \n\n
    Parameters
    \n\n
      \n
    • data_input (list or array):\nlist of Obs or list of arrays of Obs or array of Corrs
      • \n
    • padding (list, optional):\nList with two entries where the first labels the padding\nat the front of the correlator and the second the padding\nat the back.
      • \n
    • prange (list, optional):\nList containing the first and last timeslice of the plateau\nregion indentified for this correlator.
      • \n
    \n", "signature": "(data_input, padding=[0, 0], prange=None)"}, "pyerrors.correlators.Corr.gamma_method": {"fullname": "pyerrors.correlators.Corr.gamma_method", "modulename": "pyerrors.correlators", "qualname": "Corr.gamma_method", "type": "function", "doc": "
    Apply the gamma method to the content of the Corr.
    \n", "signature": "(self, **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.projected": {"fullname": "pyerrors.correlators.Corr.projected", "modulename": "pyerrors.correlators", "qualname": "Corr.projected", "type": "function", "doc": "
    We need to project the Correlator with a Vector to get a single value at each timeslice.
    \n\n
    The method can use one or two vectors.\nIf two are specified it returns v1@G@v2 (the order might be very important.)\nBy default it will return the lowest source, which usually means unsmeared-unsmeared (0,0), but it does not have to
    \n", "signature": "(self, vector_l=None, vector_r=None, normalize=False):", "funcdef": "def"}, "pyerrors.correlators.Corr.item": {"fullname": "pyerrors.correlators.Corr.item", "modulename": "pyerrors.correlators", "qualname": "Corr.item", "type": "function", "doc": "
    Picks the element [i,j] from every matrix and returns a correlator containing one Obs per timeslice.
    \n\n
    Parameters
    \n\n
      \n
    • i (int):\nFirst index to be picked.
      • \n
    • j (int):\nSecond index to be picked.
      • \n
    \n", "signature": "(self, i, j):", "funcdef": "def"}, "pyerrors.correlators.Corr.plottable": {"fullname": "pyerrors.correlators.Corr.plottable", "modulename": "pyerrors.correlators", "qualname": "Corr.plottable", "type": "function", "doc": "
    Outputs the correlator in a plotable format.
    \n\n
    Outputs three lists containing the timeslice index, the value on each\ntimeslice and the error on each timeslice.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.symmetric": {"fullname": "pyerrors.correlators.Corr.symmetric", "modulename": "pyerrors.correlators", "qualname": "Corr.symmetric", "type": "function", "doc": "
    Symmetrize the correlator around x0=0.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.anti_symmetric": {"fullname": "pyerrors.correlators.Corr.anti_symmetric", "modulename": "pyerrors.correlators", "qualname": "Corr.anti_symmetric", "type": "function", "doc": "
    Anti-symmetrize the correlator around x0=0.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.is_matrix_symmetric": {"fullname": "pyerrors.correlators.Corr.is_matrix_symmetric", "modulename": "pyerrors.correlators", "qualname": "Corr.is_matrix_symmetric", "type": "function", "doc": "
    Checks whether a correlator matrices is symmetric on every timeslice.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.matrix_symmetric": {"fullname": "pyerrors.correlators.Corr.matrix_symmetric", "modulename": "pyerrors.correlators", "qualname": "Corr.matrix_symmetric", "type": "function", "doc": "
    Symmetrizes the correlator matrices on every timeslice.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.GEVP": {"fullname": "pyerrors.correlators.Corr.GEVP", "modulename": "pyerrors.correlators", "qualname": "Corr.GEVP", "type": "function", "doc": "
    Solve the generalized eigenvalue problem on the correlator matrix and returns the corresponding eigenvectors.
    \n\n
    The eigenvectors are sorted according to the descending eigenvalues, the zeroth eigenvector(s) correspond to the\nlargest eigenvalue(s). The eigenvector(s) for the individual states can be accessed via slicing
    \n\n
    \n
    C.GEVP(t0=2)[0]  # Ground state vector(s)\nC.GEVP(t0=2)[:3]  # Vectors for the lowest three states\n
    \n
    \n\n
    Parameters
    \n\n
      \n
    • t0 (int):\nThe time t0 for the right hand side of the GEVP according to $G(t)v_i=\\lambda_i G(t_0)v_i$
      • \n
    • ts (int):\nfixed time $G(t_s)v_i=\\lambda_i G(t_0)v_i$ if sort=None.\nIf sort=\"Eigenvector\" it gives a reference point for the sorting method.
      • \n
    • sort (string):\nIf this argument is set, a list of self.T vectors per state is returned. If it is set to None, only one vector is returned.\n
        \n
      • \"Eigenvalue\": The eigenvector is chosen according to which eigenvalue it belongs individually on every timeslice.
        • \n
      • \"Eigenvector\": Use the method described in arXiv:2004.10472 to find the set of v(t) belonging to the state.\nThe reference state is identified by its eigenvalue at $t=t_s$.
        • \n
      • \n
    \n\n
    Other Parameters
    \n\n
      \n
    • state (int):\nReturns only the vector(s) for a specified state. The lowest state is zero.
      • \n
    \n", "signature": "(self, t0, ts=None, sort='Eigenvalue', **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.Eigenvalue": {"fullname": "pyerrors.correlators.Corr.Eigenvalue", "modulename": "pyerrors.correlators", "qualname": "Corr.Eigenvalue", "type": "function", "doc": "
    Determines the eigenvalue of the GEVP by solving and projecting the correlator
    \n\n
    Parameters
    \n\n
      \n
    • state (int):\nThe state one is interested in ordered by energy. The lowest state is zero.
      • \n
    • All other parameters are identical to the ones of Corr.GEVP.
      • \n
    \n", "signature": "(self, t0, ts=None, state=0, sort='Eigenvalue'):", "funcdef": "def"}, "pyerrors.correlators.Corr.Hankel": {"fullname": "pyerrors.correlators.Corr.Hankel", "modulename": "pyerrors.correlators", "qualname": "Corr.Hankel", "type": "function", "doc": "
    Constructs an NxN Hankel matrix
    \n\n
    C(t) c(t+1) ... c(t+n-1)\nC(t+1) c(t+2) ... c(t+n)\n.................\nC(t+(n-1)) c(t+n) ... c(t+2(n-1))
    \n\n
    Parameters
    \n\n
      \n
    • N (int):\nDimension of the Hankel matrix
      • \n
    • periodic (bool, optional):\ndetermines whether the matrix is extended periodically
      • \n
    \n", "signature": "(self, N, periodic=False):", "funcdef": "def"}, "pyerrors.correlators.Corr.roll": {"fullname": "pyerrors.correlators.Corr.roll", "modulename": "pyerrors.correlators", "qualname": "Corr.roll", "type": "function", "doc": "
    Periodically shift the correlator by dt timeslices
    \n\n
    Parameters
    \n\n
      \n
    • dt (int):\nnumber of timeslices
      • \n
    \n", "signature": "(self, dt):", "funcdef": "def"}, "pyerrors.correlators.Corr.reverse": {"fullname": "pyerrors.correlators.Corr.reverse", "modulename": "pyerrors.correlators", "qualname": "Corr.reverse", "type": "function", "doc": "
    Reverse the time ordering of the Corr
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.thin": {"fullname": "pyerrors.correlators.Corr.thin", "modulename": "pyerrors.correlators", "qualname": "Corr.thin", "type": "function", "doc": "
    Thin out a correlator to suppress correlations
    \n\n
    Parameters
    \n\n
      \n
    • spacing (int):\nKeep only every 'spacing'th entry of the correlator
      • \n
    • offset (int):\nOffset the equal spacing
      • \n
    \n", "signature": "(self, spacing=2, offset=0):", "funcdef": "def"}, "pyerrors.correlators.Corr.correlate": {"fullname": "pyerrors.correlators.Corr.correlate", "modulename": "pyerrors.correlators", "qualname": "Corr.correlate", "type": "function", "doc": "
    Correlate the correlator with another correlator or Obs
    \n\n
    Parameters
    \n\n
      \n
    • partner (Obs or Corr):\npartner to correlate the correlator with.\nCan either be an Obs which is correlated with all entries of the\ncorrelator or a Corr of same length.
      • \n
    \n", "signature": "(self, partner):", "funcdef": "def"}, "pyerrors.correlators.Corr.reweight": {"fullname": "pyerrors.correlators.Corr.reweight", "modulename": "pyerrors.correlators", "qualname": "Corr.reweight", "type": "function", "doc": "
    Reweight the correlator.
    \n\n
    Parameters
    \n\n
      \n
    • weight (Obs):\nReweighting factor. An Observable that has to be defined on a superset of the\nconfigurations in obs[i].idl for all i.
      • \n
    • all_configs (bool):\nif True, the reweighted observables are normalized by the average of\nthe reweighting factor on all configurations in weight.idl and not\non the configurations in obs[i].idl.
      • \n
    \n", "signature": "(self, weight, **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.T_symmetry": {"fullname": "pyerrors.correlators.Corr.T_symmetry", "modulename": "pyerrors.correlators", "qualname": "Corr.T_symmetry", "type": "function", "doc": "
    Return the time symmetry average of the correlator and its partner
    \n\n
    Parameters
    \n\n
      \n
    • partner (Corr):\nTime symmetry partner of the Corr
      • \n
    • partity (int):\nParity quantum number of the correlator, can be +1 or -1
      • \n
    \n", "signature": "(self, partner, parity=1):", "funcdef": "def"}, "pyerrors.correlators.Corr.deriv": {"fullname": "pyerrors.correlators.Corr.deriv", "modulename": "pyerrors.correlators", "qualname": "Corr.deriv", "type": "function", "doc": "
    Return the first derivative of the correlator with respect to x0.
    \n\n
    Parameters
    \n\n
      \n
    • variant (str):\ndecides which definition of the finite differences derivative is used.\nAvailable choice: symmetric, forward, backward, improved, default: symmetric
      • \n
    \n", "signature": "(self, variant='symmetric'):", "funcdef": "def"}, "pyerrors.correlators.Corr.second_deriv": {"fullname": "pyerrors.correlators.Corr.second_deriv", "modulename": "pyerrors.correlators", "qualname": "Corr.second_deriv", "type": "function", "doc": "
    Return the second derivative of the correlator with respect to x0.
    \n\n
    Parameters
    \n\n
      \n
    • variant (str):\ndecides which definition of the finite differences derivative is used.\nAvailable choice: symmetric, improved, default: symmetric
      • \n
    \n", "signature": "(self, variant='symmetric'):", "funcdef": "def"}, "pyerrors.correlators.Corr.m_eff": {"fullname": "pyerrors.correlators.Corr.m_eff", "modulename": "pyerrors.correlators", "qualname": "Corr.m_eff", "type": "function", "doc": "
    Returns the effective mass of the correlator as correlator object
    \n\n
    Parameters
    \n\n
      \n
    • variant (str):\nlog : uses the standard effective mass log(C(t) / C(t+1))\ncosh, periodic : Use periodicitiy of the correlator by solving C(t) / C(t+1) = cosh(m * (t - T/2)) / cosh(m * (t + 1 - T/2)) for m.\nsinh : Use anti-periodicitiy of the correlator by solving C(t) / C(t+1) = sinh(m * (t - T/2)) / sinh(m * (t + 1 - T/2)) for m.\nSee, e.g., arXiv:1205.5380\narccosh : Uses the explicit form of the symmetrized correlator (not recommended)
      • \n
    • guess (float):\nguess for the root finder, only relevant for the root variant
      • \n
    \n", "signature": "(self, variant='log', guess=1.0):", "funcdef": "def"}, "pyerrors.correlators.Corr.fit": {"fullname": "pyerrors.correlators.Corr.fit", "modulename": "pyerrors.correlators", "qualname": "Corr.fit", "type": "function", "doc": "
    Fits function to the data
    \n\n
    Parameters
    \n\n
      \n
    • function (obj):\nfunction to fit to the data. See fits.least_squares for details.
      • \n
    • fitrange (list):\nTwo element list containing the timeslices on which the fit is supposed to start and stop.\nCaution: This range is inclusive as opposed to standard python indexing.\nfitrange=[4, 6] corresponds to the three entries 4, 5 and 6.\nIf not specified, self.prange or all timeslices are used.
      • \n
    • silent (bool):\nDecides whether output is printed to the standard output.
      • \n
    \n", "signature": "(self, function, fitrange=None, silent=False, **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.plateau": {"fullname": "pyerrors.correlators.Corr.plateau", "modulename": "pyerrors.correlators", "qualname": "Corr.plateau", "type": "function", "doc": "
    Extract a plateau value from a Corr object
    \n\n
    Parameters
    \n\n
      \n
    • plateau_range (list):\nlist with two entries, indicating the first and the last timeslice\nof the plateau region.
      • \n
    • method (str):\nmethod to extract the plateau.\n    'fit' fits a constant to the plateau region\n    'avg', 'average' or 'mean' just average over the given timeslices.
      • \n
    • auto_gamma (bool):\napply gamma_method with default parameters to the Corr. Defaults to None
      • \n
    \n", "signature": "(self, plateau_range=None, method='fit', auto_gamma=False):", "funcdef": "def"}, "pyerrors.correlators.Corr.set_prange": {"fullname": "pyerrors.correlators.Corr.set_prange", "modulename": "pyerrors.correlators", "qualname": "Corr.set_prange", "type": "function", "doc": "
    Sets the attribute prange of the Corr object.
    \n", "signature": "(self, prange):", "funcdef": "def"}, "pyerrors.correlators.Corr.show": {"fullname": "pyerrors.correlators.Corr.show", "modulename": "pyerrors.correlators", "qualname": "Corr.show", "type": "function", "doc": "
    Plots the correlator using the tag of the correlator as label if available.
    \n\n
    Parameters
    \n\n
      \n
    • x_range (list):\nlist of two values, determining the range of the x-axis e.g. [4, 8].
      • \n
    • comp (Corr or list of Corr):\nCorrelator or list of correlators which are plotted for comparison.\nThe tags of these correlators are used as labels if available.
      • \n
    • logscale (bool):\nSets y-axis to logscale.
      • \n
    • plateau (Obs):\nPlateau value to be visualized in the figure.
      • \n
    • fit_res (Fit_result):\nFit_result object to be visualized.
      • \n
    • ylabel (str):\nLabel for the y-axis.
      • \n
    • save (str):\npath to file in which the figure should be saved.
      • \n
    • auto_gamma (bool):\nApply the gamma method with standard parameters to all correlators and plateau values before plotting.
      • \n
    • hide_sigma (float):\nHides data points from the first value on which is consistent with zero within 'hide_sigma' standard errors.
      • \n
    • references (list):\nList of floating point values that are displayed as horizontal lines for reference.
      • \n
    • title (string):\nOptional title of the figure.
      • \n
    \n", "signature": "(\tself,\tx_range=None,\tcomp=None,\ty_range=None,\tlogscale=False,\tplateau=None,\tfit_res=None,\tylabel=None,\tsave=None,\tauto_gamma=False,\thide_sigma=None,\treferences=None,\ttitle=None):", "funcdef": "def"}, "pyerrors.correlators.Corr.spaghetti_plot": {"fullname": "pyerrors.correlators.Corr.spaghetti_plot", "modulename": "pyerrors.correlators", "qualname": "Corr.spaghetti_plot", "type": "function", "doc": "
    Produces a spaghetti plot of the correlator suited to monitor exceptional configurations.
    \n\n
    Parameters
    \n\n
      \n
    • logscale (bool):\nDetermines whether the scale of the y-axis is logarithmic or standard.
      • \n
    \n", "signature": "(self, logscale=True):", "funcdef": "def"}, "pyerrors.correlators.Corr.dump": {"fullname": "pyerrors.correlators.Corr.dump", "modulename": "pyerrors.correlators", "qualname": "Corr.dump", "type": "function", "doc": "
    Dumps the Corr into a file of chosen type
    \n\n
    Parameters
    \n\n
      \n
    • filename (str):\nName of the file to be saved.
      • \n
    • datatype (str):\nFormat of the exported file. Supported formats include\n\"json.gz\" and \"pickle\"
      • \n
    • path (str):\nspecifies a custom path for the file (default '.')
      • \n
    \n", "signature": "(self, filename, datatype='json.gz', **kwargs):", "funcdef": "def"}, "pyerrors.correlators.Corr.print": {"fullname": "pyerrors.correlators.Corr.print", "modulename": "pyerrors.correlators", "qualname": "Corr.print", "type": "function", "doc": "
    \n", "signature": "(self, print_range=None):", "funcdef": "def"}, "pyerrors.correlators.Corr.sqrt": {"fullname": "pyerrors.correlators.Corr.sqrt", "modulename": "pyerrors.correlators", "qualname": "Corr.sqrt", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.log": {"fullname": "pyerrors.correlators.Corr.log", "modulename": "pyerrors.correlators", "qualname": "Corr.log", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.exp": {"fullname": "pyerrors.correlators.Corr.exp", "modulename": "pyerrors.correlators", "qualname": "Corr.exp", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.sin": {"fullname": "pyerrors.correlators.Corr.sin", "modulename": "pyerrors.correlators", "qualname": "Corr.sin", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.cos": {"fullname": "pyerrors.correlators.Corr.cos", "modulename": "pyerrors.correlators", "qualname": "Corr.cos", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.tan": {"fullname": "pyerrors.correlators.Corr.tan", "modulename": "pyerrors.correlators", "qualname": "Corr.tan", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.sinh": {"fullname": "pyerrors.correlators.Corr.sinh", "modulename": "pyerrors.correlators", "qualname": "Corr.sinh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.cosh": {"fullname": "pyerrors.correlators.Corr.cosh", "modulename": "pyerrors.correlators", "qualname": "Corr.cosh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.tanh": {"fullname": "pyerrors.correlators.Corr.tanh", "modulename": "pyerrors.correlators", "qualname": "Corr.tanh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arcsin": {"fullname": "pyerrors.correlators.Corr.arcsin", "modulename": "pyerrors.correlators", "qualname": "Corr.arcsin", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arccos": {"fullname": "pyerrors.correlators.Corr.arccos", "modulename": "pyerrors.correlators", "qualname": "Corr.arccos", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arctan": {"fullname": "pyerrors.correlators.Corr.arctan", "modulename": "pyerrors.correlators", "qualname": "Corr.arctan", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arcsinh": {"fullname": "pyerrors.correlators.Corr.arcsinh", "modulename": "pyerrors.correlators", "qualname": "Corr.arcsinh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arccosh": {"fullname": "pyerrors.correlators.Corr.arccosh", "modulename": "pyerrors.correlators", "qualname": "Corr.arccosh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.arctanh": {"fullname": "pyerrors.correlators.Corr.arctanh", "modulename": "pyerrors.correlators", "qualname": "Corr.arctanh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.correlators.Corr.prune": {"fullname": "pyerrors.correlators.Corr.prune", "modulename": "pyerrors.correlators", "qualname": "Corr.prune", "type": "function", "doc": "
    Project large correlation matrix to lowest states
    \n\n
    This method can be used to reduce the size of an (N x N) correlation matrix\nto (Ntrunc x Ntrunc) by solving a GEVP at very early times where the noise\nis still small.
    \n\n
    Parameters
    \n\n
      \n
    • Ntrunc (int):\nRank of the target matrix.
      • \n
    • tproj (int):\nTime where the eigenvectors are evaluated, corresponds to ts in the GEVP method.\nThe default value is 3.
      • \n
    • t0proj (int):\nTime where the correlation matrix is inverted. Choosing t0proj=1 is strongly\ndiscouraged for O(a) improved theories, since the correctness of the procedure\ncannot be granted in this case. The default value is 2.
      • \n
    • basematrix (Corr):\nCorrelation matrix that is used to determine the eigenvectors of the\nlowest states based on a GEVP. basematrix is taken to be the Corr itself if\nis is not specified.
      • \n
    \n\n
    Notes
    \n\n
    We have the basematrix $C(t)$ and the target matrix $G(t)$. We start by solving\nthe GEVP $$C(t) v_n(t, t_0) = \\lambda_n(t, t_0) C(t_0) v_n(t, t_0)$$ where $t \\equiv t_\\mathrm{proj}$\nand $t_0 \\equiv t_{0, \\mathrm{proj}}$. The target matrix is projected onto the subspace of the\nresulting eigenvectors $v_n, n=1,\\dots,N_\\mathrm{trunc}$ via\n$$G^\\prime_{i, j}(t) = (v_i, G(t) v_j)$$. This allows to reduce the size of a large\ncorrelation matrix and to remove some noise that is added by irrelevant operators.\nThis may allow to use the GEVP on $G(t)$ at late times such that the theoretically motivated\nbound $t_0 \\leq t/2$ holds, since the condition number of $G(t)$ is decreased, compared to $C(t)$.
    \n", "signature": "(self, Ntrunc, tproj=3, t0proj=2, basematrix=None):", "funcdef": "def"}, "pyerrors.covobs": {"fullname": "pyerrors.covobs", "modulename": "pyerrors.covobs", "type": "module", "doc": "
    \n"}, "pyerrors.covobs.Covobs": {"fullname": "pyerrors.covobs.Covobs", "modulename": "pyerrors.covobs", "qualname": "Covobs", "type": "class", "doc": "
    \n"}, "pyerrors.covobs.Covobs.__init__": {"fullname": "pyerrors.covobs.Covobs.__init__", "modulename": "pyerrors.covobs", "qualname": "Covobs.__init__", "type": "function", "doc": "
    Initialize Covobs object.
    \n\n
    Parameters
    \n\n
      \n
    • mean (float):\nMean value of the new Obs
      • \n
    • cov (list or array):\n2d Covariance matrix or 1d diagonal entries
      • \n
    • name (str):\nidentifier for the covariance matrix
      • \n
    • pos (int):\nPosition of the variance belonging to mean in cov.\nIs taken to be 1 if cov is 0-dimensional
      • \n
    • grad (list or array):\nGradient of the Covobs wrt. the means belonging to cov.
      • \n
    \n", "signature": "(mean, cov, name, pos=None, grad=None)"}, "pyerrors.covobs.Covobs.errsq": {"fullname": "pyerrors.covobs.Covobs.errsq", "modulename": "pyerrors.covobs", "qualname": "Covobs.errsq", "type": "function", "doc": "
    Return the variance (= square of the error) of the Covobs
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.dirac": {"fullname": "pyerrors.dirac", "modulename": "pyerrors.dirac", "type": "module", "doc": "
    \n"}, "pyerrors.dirac.epsilon_tensor": {"fullname": "pyerrors.dirac.epsilon_tensor", "modulename": "pyerrors.dirac", "qualname": "epsilon_tensor", "type": "function", "doc": "
    Rank-3 epsilon tensor
    \n\n
    Based on https://codegolf.stackexchange.com/a/160375
    \n", "signature": "(i, j, k):", "funcdef": "def"}, "pyerrors.dirac.epsilon_tensor_rank4": {"fullname": "pyerrors.dirac.epsilon_tensor_rank4", "modulename": "pyerrors.dirac", "qualname": "epsilon_tensor_rank4", "type": "function", "doc": "
    Rank-4 epsilon tensor
    \n\n
    Extension of https://codegolf.stackexchange.com/a/160375
    \n", "signature": "(i, j, k, o):", "funcdef": "def"}, "pyerrors.dirac.Grid_gamma": {"fullname": "pyerrors.dirac.Grid_gamma", "modulename": "pyerrors.dirac", "qualname": "Grid_gamma", "type": "function", "doc": "
    Returns gamma matrix in Grid labeling.
    \n", "signature": "(gamma_tag):", "funcdef": "def"}, "pyerrors.fits": {"fullname": "pyerrors.fits", "modulename": "pyerrors.fits", "type": "module", "doc": "
    \n"}, "pyerrors.fits.Fit_result": {"fullname": "pyerrors.fits.Fit_result", "modulename": "pyerrors.fits", "qualname": "Fit_result", "type": "class", "doc": "
    Represents fit results.
    \n\n
    Attributes
    \n\n
      \n
    • fit_parameters (list):\nresults for the individual fit parameters,\nalso accessible via indices.
      • \n
    \n", "bases": "collections.abc.Sequence"}, "pyerrors.fits.Fit_result.__init__": {"fullname": "pyerrors.fits.Fit_result.__init__", "modulename": "pyerrors.fits", "qualname": "Fit_result.__init__", "type": "function", "doc": "
    \n", "signature": "()"}, "pyerrors.fits.Fit_result.gamma_method": {"fullname": "pyerrors.fits.Fit_result.gamma_method", "modulename": "pyerrors.fits", "qualname": "Fit_result.gamma_method", "type": "function", "doc": "
    Apply the gamma method to all fit parameters
    \n", "signature": "(self, **kwargs):", "funcdef": "def"}, "pyerrors.fits.least_squares": {"fullname": "pyerrors.fits.least_squares", "modulename": "pyerrors.fits", "qualname": "least_squares", "type": "function", "doc": "
    Performs a non-linear fit to y = func(x).
    \n\n
    Parameters
    \n\n
      \n
    • x (list):\nlist of floats.
      • \n
    • y (list):\nlist of Obs.
      • \n
    • func (object):\nfit function, has to be of the form
      \n\n
      \n
      import autograd.numpy as anp\n\ndef func(a, x):\n   return a[0] + a[1] * x + a[2] * anp.sinh(x)\n
      \n
      \n\n
      For multiple x values func can be of the form
      \n\n
      \n
      def func(a, x):\n   (x1, x2) = x\n   return a[0] * x1 ** 2 + a[1] * x2\n
      \n
      \n\n
      It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation\nwill not work.
      • \n
    • priors (list, optional):\npriors has to be a list with an entry for every parameter in the fit. The entries can either be\nObs (e.g. results from a previous fit) or strings containing a value and an error formatted like\n0.548(23), 500(40) or 0.5(0.4)
      • \n
    • silent (bool, optional):\nIf true all output to the console is omitted (default False).
      • \n
    • initial_guess (list):\ncan provide an initial guess for the input parameters. Relevant for\nnon-linear fits with many parameters. In case of correlated fits the guess is used to perform\nan uncorrelated fit which then serves as guess for the correlated fit.
      • \n
    • method (str, optional):\ncan be used to choose an alternative method for the minimization of chisquare.\nThe possible methods are the ones which can be used for scipy.optimize.minimize and\nmigrad of iminuit. If no method is specified, Levenberg-Marquard is used.\nReliable alternatives are migrad, Powell and Nelder-Mead.
      • \n
    • correlated_fit (bool):\nIf True, use the full inverse covariance matrix in the definition of the chisquare cost function.\nFor details about how the covariance matrix is estimated see pyerrors.obs.covariance.\nIn practice the correlation matrix is Cholesky decomposed and inverted (instead of the covariance matrix).\nThis procedure should be numerically more stable as the correlation matrix is typically better conditioned (Jacobi preconditioning).\nAt the moment this option only works for prior==None and when no method is given.
      • \n
    • expected_chisquare (bool):\nIf True estimates the expected chisquare which is\ncorrected by effects caused by correlated input data (default False).
      • \n
    • resplot (bool):\nIf True, a plot which displays fit, data and residuals is generated (default False).
      • \n
    • qqplot (bool):\nIf True, a quantile-quantile plot of the fit result is generated (default False).
      • \n
    • num_grad (bool):\nUse numerical differentation instead of automatic differentiation to perform the error propagation (default False).
      • \n
    \n", "signature": "(x, y, func, priors=None, silent=False, **kwargs):", "funcdef": "def"}, "pyerrors.fits.total_least_squares": {"fullname": "pyerrors.fits.total_least_squares", "modulename": "pyerrors.fits", "qualname": "total_least_squares", "type": "function", "doc": "
    Performs a non-linear fit to y = func(x) and returns a list of Obs corresponding to the fit parameters.
    \n\n
    Parameters
    \n\n
      \n
    • x (list):\nlist of Obs, or a tuple of lists of Obs
      • \n
    • y (list):\nlist of Obs. The dvalues of the Obs are used as x- and yerror for the fit.
      • \n
    • func (object):\nfunc has to be of the form
      \n\n
      \n
      import autograd.numpy as anp\n\ndef func(a, x):\n   return a[0] + a[1] * x + a[2] * anp.sinh(x)\n
      \n
      \n\n
      For multiple x values func can be of the form
      \n\n
      \n
      def func(a, x):\n   (x1, x2) = x\n   return a[0] * x1 ** 2 + a[1] * x2\n
      \n
      \n\n
      It is important that all numpy functions refer to autograd.numpy, otherwise the differentiation\nwill not work.
      • \n
    • silent (bool, optional):\nIf true all output to the console is omitted (default False).
      • \n
    • initial_guess (list):\ncan provide an initial guess for the input parameters. Relevant for non-linear\nfits with many parameters.
      • \n
    • expected_chisquare (bool):\nIf true prints the expected chisquare which is\ncorrected by effects caused by correlated input data.\nThis can take a while as the full correlation matrix\nhas to be calculated (default False).
      • \n
    • num_grad (bool):\nUse numerical differentation instead of automatic differentiation to perform the error propagation (default False).
      • \n
    \n\n
    Notes
    \n\n
    Based on the orthogonal distance regression module of scipy
    \n", "signature": "(x, y, func, silent=False, **kwargs):", "funcdef": "def"}, "pyerrors.fits.fit_lin": {"fullname": "pyerrors.fits.fit_lin", "modulename": "pyerrors.fits", "qualname": "fit_lin", "type": "function", "doc": "
    Performs a linear fit to y = n + m * x and returns two Obs n, m.
    \n\n
    Parameters
    \n\n
      \n
    • x (list):\nCan either be a list of floats in which case no xerror is assumed, or\na list of Obs, where the dvalues of the Obs are used as xerror for the fit.
      • \n
    • y (list):\nList of Obs, the dvalues of the Obs are used as yerror for the fit.
      • \n
    \n", "signature": "(x, y, **kwargs):", "funcdef": "def"}, "pyerrors.fits.qqplot": {"fullname": "pyerrors.fits.qqplot", "modulename": "pyerrors.fits", "qualname": "qqplot", "type": "function", "doc": "
    Generates a quantile-quantile plot of the fit result which can be used to\ncheck if the residuals of the fit are gaussian distributed.
    \n", "signature": "(x, o_y, func, p):", "funcdef": "def"}, "pyerrors.fits.residual_plot": {"fullname": "pyerrors.fits.residual_plot", "modulename": "pyerrors.fits", "qualname": "residual_plot", "type": "function", "doc": "
    Generates a plot which compares the fit to the data and displays the corresponding residuals
    \n", "signature": "(x, y, func, fit_res):", "funcdef": "def"}, "pyerrors.fits.error_band": {"fullname": "pyerrors.fits.error_band", "modulename": "pyerrors.fits", "qualname": "error_band", "type": "function", "doc": "
    Returns the error band for an array of sample values x, for given fit function func with optimized parameters beta.
    \n", "signature": "(x, func, beta):", "funcdef": "def"}, "pyerrors.fits.ks_test": {"fullname": "pyerrors.fits.ks_test", "modulename": "pyerrors.fits", "qualname": "ks_test", "type": "function", "doc": "
    Performs a Kolmogorov\u2013Smirnov test for the p-values of all fit object.
    \n\n
    Parameters
    \n\n
      \n
    • objects (list):\nList of fit results to include in the analysis (optional).
      • \n
    \n", "signature": "(objects=None):", "funcdef": "def"}, "pyerrors.input": {"fullname": "pyerrors.input", "modulename": "pyerrors.input", "type": "module", "doc": "
    pyerrors includes an input submodule in which input routines and parsers for the output of various numerical programs are contained.
    \n\n
    Jackknife samples
    \n\n
    For comparison with other analysis workflows pyerrors can also generate jackknife samples from an Obs object or import jackknife samples into an Obs object.\nSee pyerrors.obs.Obs.export_jackknife and pyerrors.obs.import_jackknife for details.
    \n"}, "pyerrors.input.bdio": {"fullname": "pyerrors.input.bdio", "modulename": "pyerrors.input.bdio", "type": "module", "doc": "
    \n"}, "pyerrors.input.bdio.read_ADerrors": {"fullname": "pyerrors.input.bdio.read_ADerrors", "modulename": "pyerrors.input.bdio", "qualname": "read_ADerrors", "type": "function", "doc": "
    Extract generic MCMC data from a bdio file
    \n\n
    read_ADerrors requires bdio to be compiled into a shared library. This can be achieved by\nadding the flag -fPIC to CC and changing the all target to
    \n\n
    all:                bdio.o $(LIBDIR)\n            gcc -shared -Wl,-soname,libbdio.so -o $(BUILDDIR)/libbdio.so $(BUILDDIR)/bdio.o\n            cp $(BUILDDIR)/libbdio.so $(LIBDIR)/
    \n\n
    Parameters
    \n\n
      \n
    • file_path -- path to the bdio file
      • \n
    • bdio_path -- path to the shared bdio library libbdio.so (default ./libbdio.so)
      • \n
    \n", "signature": "(file_path, bdio_path='./libbdio.so', **kwargs):", "funcdef": "def"}, "pyerrors.input.bdio.write_ADerrors": {"fullname": "pyerrors.input.bdio.write_ADerrors", "modulename": "pyerrors.input.bdio", "qualname": "write_ADerrors", "type": "function", "doc": "
    Write Obs to a bdio file according to ADerrors conventions
    \n\n
    read_mesons requires bdio to be compiled into a shared library. This can be achieved by\nadding the flag -fPIC to CC and changing the all target to
    \n\n
    all:                bdio.o $(LIBDIR)\n            gcc -shared -Wl,-soname,libbdio.so -o $(BUILDDIR)/libbdio.so $(BUILDDIR)/bdio.o\n            cp $(BUILDDIR)/libbdio.so $(LIBDIR)/
    \n\n
    Parameters
    \n\n
      \n
    • file_path -- path to the bdio file
      • \n
    • bdio_path -- path to the shared bdio library libbdio.so (default ./libbdio.so)
      • \n
    \n", "signature": "(obs_list, file_path, bdio_path='./libbdio.so', **kwargs):", "funcdef": "def"}, "pyerrors.input.bdio.read_mesons": {"fullname": "pyerrors.input.bdio.read_mesons", "modulename": "pyerrors.input.bdio", "qualname": "read_mesons", "type": "function", "doc": "
    Extract mesons data from a bdio file and return it as a dictionary
    \n\n
    The dictionary can be accessed with a tuple consisting of (type, source_position, kappa1, kappa2)
    \n\n
    read_mesons requires bdio to be compiled into a shared library. This can be achieved by\nadding the flag -fPIC to CC and changing the all target to
    \n\n
    all:                bdio.o $(LIBDIR)\n            gcc -shared -Wl,-soname,libbdio.so -o $(BUILDDIR)/libbdio.so $(BUILDDIR)/bdio.o\n            cp $(BUILDDIR)/libbdio.so $(LIBDIR)/
    \n\n
    Parameters
    \n\n
      \n
    • file_path (str):\npath to the bdio file
      • \n
    • bdio_path (str):\npath to the shared bdio library libbdio.so (default ./libbdio.so)
      • \n
    • start (int):\nThe first configuration to be read (default 1)
      • \n
    • stop (int):\nThe last configuration to be read (default None)
      • \n
    • step (int):\nFixed step size between two measurements (default 1)
      • \n
    • alternative_ensemble_name (str):\nManually overwrite ensemble name
      • \n
    \n", "signature": "(file_path, bdio_path='./libbdio.so', **kwargs):", "funcdef": "def"}, "pyerrors.input.bdio.read_dSdm": {"fullname": "pyerrors.input.bdio.read_dSdm", "modulename": "pyerrors.input.bdio", "qualname": "read_dSdm", "type": "function", "doc": "
    Extract dSdm data from a bdio file and return it as a dictionary
    \n\n
    The dictionary can be accessed with a tuple consisting of (type, kappa)
    \n\n
    read_dSdm requires bdio to be compiled into a shared library. This can be achieved by\nadding the flag -fPIC to CC and changing the all target to
    \n\n
    all:                bdio.o $(LIBDIR)\n            gcc -shared -Wl,-soname,libbdio.so -o $(BUILDDIR)/libbdio.so $(BUILDDIR)/bdio.o\n            cp $(BUILDDIR)/libbdio.so $(LIBDIR)/
    \n\n
    Parameters
    \n\n
      \n
    • file_path (str):\npath to the bdio file
      • \n
    • bdio_path (str):\npath to the shared bdio library libbdio.so (default ./libbdio.so)
      • \n
    • start (int):\nThe first configuration to be read (default 1)
      • \n
    • stop (int):\nThe last configuration to be read (default None)
      • \n
    • step (int):\nFixed step size between two measurements (default 1)
      • \n
    • alternative_ensemble_name (str):\nManually overwrite ensemble name
      • \n
    \n", "signature": "(file_path, bdio_path='./libbdio.so', **kwargs):", "funcdef": "def"}, "pyerrors.input.dobs": {"fullname": "pyerrors.input.dobs", "modulename": "pyerrors.input.dobs", "type": "module", "doc": "
    \n"}, "pyerrors.input.dobs.create_pobs_string": {"fullname": "pyerrors.input.dobs.create_pobs_string", "modulename": "pyerrors.input.dobs", "qualname": "create_pobs_string", "type": "function", "doc": "
    Export a list of Obs or structures containing Obs to an xml string\naccording to the Zeuthen pobs format.
    \n\n
    Tags are not written or recovered automatically. The separator | is removed from the replica names.
    \n\n
    Parameters
    \n\n
      \n
    • obsl (list):\nList of Obs that will be exported.\nThe Obs inside a structure have to be defined on the same ensemble.
      • \n
    • name (str):\nThe name of the observable.
      • \n
    • spec (str):\nOptional string that describes the contents of the file.
      • \n
    • origin (str):\nSpecify where the data has its origin.
      • \n
    • symbol (list):\nA list of symbols that describe the observables to be written. May be empty.
      • \n
    • enstag (str):\nEnstag that is written to pobs. If None, the ensemble name is used.
      • \n
    \n", "signature": "(obsl, name, spec='', origin='', symbol=[], enstag=None):", "funcdef": "def"}, "pyerrors.input.dobs.write_pobs": {"fullname": "pyerrors.input.dobs.write_pobs", "modulename": "pyerrors.input.dobs", "qualname": "write_pobs", "type": "function", "doc": "
    Export a list of Obs or structures containing Obs to a .xml.gz file\naccording to the Zeuthen pobs format.
    \n\n
    Tags are not written or recovered automatically. The separator | is removed from the replica names.
    \n\n
    Parameters
    \n\n
      \n
    • obsl (list):\nList of Obs that will be exported.\nThe Obs inside a structure have to be defined on the same ensemble.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • name (str):\nThe name of the observable.
      • \n
    • spec (str):\nOptional string that describes the contents of the file.
      • \n
    • origin (str):\nSpecify where the data has its origin.
      • \n
    • symbol (list):\nA list of symbols that describe the observables to be written. May be empty.
      • \n
    • enstag (str):\nEnstag that is written to pobs. If None, the ensemble name is used.
      • \n
    • gz (bool):\nIf True, the output is a gzipped xml. If False, the output is an xml file.
      • \n
    \n", "signature": "(\tobsl,\tfname,\tname,\tspec='',\torigin='',\tsymbol=[],\tenstag=None,\tgz=True):", "funcdef": "def"}, "pyerrors.input.dobs.read_pobs": {"fullname": "pyerrors.input.dobs.read_pobs", "modulename": "pyerrors.input.dobs", "qualname": "read_pobs", "type": "function", "doc": "
    Import a list of Obs from an xml.gz file in the Zeuthen pobs format.
    \n\n
    Tags are not written or recovered automatically.
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned as list.
      • \n
    • separatior_insertion (str or int):\nstr: replace all occurences of \"separator_insertion\" within the replica names\nby \"|%s\" % (separator_insertion) when constructing the names of the replica.\nint: Insert the separator \"|\" at the position given by separator_insertion.\nNone (default): Replica names remain unchanged.
      • \n
    \n", "signature": "(fname, full_output=False, gz=True, separator_insertion=None):", "funcdef": "def"}, "pyerrors.input.dobs.import_dobs_string": {"fullname": "pyerrors.input.dobs.import_dobs_string", "modulename": "pyerrors.input.dobs", "qualname": "import_dobs_string", "type": "function", "doc": "
    Import a list of Obs from a string in the Zeuthen dobs format.
    \n\n
    Tags are not written or recovered automatically.
    \n\n
    Parameters
    \n\n
      \n
    • content (str):\nXML string containing the data
      • \n
    • noemtpy (bool):\nIf True, ensembles with no contribution to the Obs are not included.\nIf False, ensembles are included as written in the file, possibly with vanishing entries.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned as list.
      • \n
    • separatior_insertion (str, int or bool):\nstr: replace all occurences of \"separator_insertion\" within the replica names\nby \"|%s\" % (separator_insertion) when constructing the names of the replica.\nint: Insert the separator \"|\" at the position given by separator_insertion.\nTrue (default): separator \"|\" is inserted after len(ensname), assuming that the\nensemble name is a prefix to the replica name.\nNone or False: No separator is inserted.
      • \n
    \n", "signature": "(content, noempty=False, full_output=False, separator_insertion=True):", "funcdef": "def"}, "pyerrors.input.dobs.read_dobs": {"fullname": "pyerrors.input.dobs.read_dobs", "modulename": "pyerrors.input.dobs", "qualname": "read_dobs", "type": "function", "doc": "
    Import a list of Obs from an xml.gz file in the Zeuthen dobs format.
    \n\n
    Tags are not written or recovered automatically.
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • noemtpy (bool):\nIf True, ensembles with no contribution to the Obs are not included.\nIf False, ensembles are included as written in the file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned as list.
      • \n
    • gz (bool):\nIf True, assumes that data is gzipped. If False, assumes XML file.
      • \n
    • separatior_insertion (str, int or bool):\nstr: replace all occurences of \"separator_insertion\" within the replica names\nby \"|%s\" % (separator_insertion) when constructing the names of the replica.\nint: Insert the separator \"|\" at the position given by separator_insertion.\nTrue (default): separator \"|\" is inserted after len(ensname), assuming that the\nensemble name is a prefix to the replica name.\nNone or False: No separator is inserted.
      • \n
    \n", "signature": "(\tfname,\tnoempty=False,\tfull_output=False,\tgz=True,\tseparator_insertion=True):", "funcdef": "def"}, "pyerrors.input.dobs.create_dobs_string": {"fullname": "pyerrors.input.dobs.create_dobs_string", "modulename": "pyerrors.input.dobs", "qualname": "create_dobs_string", "type": "function", "doc": "
    Generate the string for the export of a list of Obs or structures containing Obs\nto a .xml.gz file according to the Zeuthen dobs format.
    \n\n
    Tags are not written or recovered automatically. The separator |is removed from the replica names.
    \n\n
    Parameters
    \n\n
      \n
    • obsl (list):\nList of Obs that will be exported.\nThe Obs inside a structure do not have to be defined on the same set of configurations,\nbut the storage requirement is increased, if this is not the case.
      • \n
    • name (str):\nThe name of the observable.
      • \n
    • spec (str):\nOptional string that describes the contents of the file.
      • \n
    • origin (str):\nSpecify where the data has its origin.
      • \n
    • symbol (list):\nA list of symbols that describe the observables to be written. May be empty.
      • \n
    • who (str):\nProvide the name of the person that exports the data.
      • \n
    • enstags (dict):\nProvide alternative enstag for ensembles in the form enstags = {ename: enstag}\nOtherwise, the ensemble name is used.
      • \n
    \n", "signature": "(\tobsl,\tname,\tspec='dobs v1.0',\torigin='',\tsymbol=[],\twho=None,\tenstags=None):", "funcdef": "def"}, "pyerrors.input.dobs.write_dobs": {"fullname": "pyerrors.input.dobs.write_dobs", "modulename": "pyerrors.input.dobs", "qualname": "write_dobs", "type": "function", "doc": "
    Export a list of Obs or structures containing Obs to a .xml.gz file\naccording to the Zeuthen dobs format.
    \n\n
    Tags are not written or recovered automatically. The separator | is removed from the replica names.
    \n\n
    Parameters
    \n\n
      \n
    • obsl (list):\nList of Obs that will be exported.\nThe Obs inside a structure do not have to be defined on the same set of configurations,\nbut the storage requirement is increased, if this is not the case.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • name (str):\nThe name of the observable.
      • \n
    • spec (str):\nOptional string that describes the contents of the file.
      • \n
    • origin (str):\nSpecify where the data has its origin.
      • \n
    • symbol (list):\nA list of symbols that describe the observables to be written. May be empty.
      • \n
    • who (str):\nProvide the name of the person that exports the data.
      • \n
    • enstags (dict):\nProvide alternative enstag for ensembles in the form enstags = {ename: enstag}\nOtherwise, the ensemble name is used.
      • \n
    • gz (bool):\nIf True, the output is a gzipped XML. If False, the output is a XML file.
      • \n
    \n", "signature": "(\tobsl,\tfname,\tname,\tspec='dobs v1.0',\torigin='',\tsymbol=[],\twho=None,\tenstags=None,\tgz=True):", "funcdef": "def"}, "pyerrors.input.hadrons": {"fullname": "pyerrors.input.hadrons", "modulename": "pyerrors.input.hadrons", "type": "module", "doc": "
    \n"}, "pyerrors.input.hadrons.read_meson_hd5": {"fullname": "pyerrors.input.hadrons.read_meson_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_meson_hd5", "type": "function", "doc": "
    Read hadrons meson hdf5 file and extract the meson labeled 'meson'
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the files to read
      • \n
    • filestem (str):\nnamestem of the files to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • meson (str):\nlabel of the meson to be extracted, standard value meson_0 which\ncorresponds to the pseudoscalar pseudoscalar two-point function.
      • \n
    • gammas (tuple of strings):\nInstrad of a meson label one can also provide a tuple of two strings\nindicating the gamma matrices at source and sink.\n(\"Gamma5\", \"Gamma5\") corresponds to the pseudoscalar pseudoscalar\ntwo-point function. The gammas argument dominateds over meson.
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    \n", "signature": "(path, filestem, ens_id, meson='meson_0', idl=None, gammas=None):", "funcdef": "def"}, "pyerrors.input.hadrons.read_DistillationContraction_hd5": {"fullname": "pyerrors.input.hadrons.read_DistillationContraction_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_DistillationContraction_hd5", "type": "function", "doc": "
    Read hadrons DistillationContraction hdf5 files in given directory structure
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the directories to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • diagrams (list):\nList of strings of the diagrams to extract, e.g. [\"direct\", \"box\", \"cross\"].
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    \n", "signature": "(path, ens_id, diagrams=['direct'], idl=None):", "funcdef": "def"}, "pyerrors.input.hadrons.Npr_matrix": {"fullname": "pyerrors.input.hadrons.Npr_matrix", "modulename": "pyerrors.input.hadrons", "qualname": "Npr_matrix", "type": "class", "doc": "
    ndarray(shape, dtype=float, buffer=None, offset=0,\n        strides=None, order=None)
    \n\n
    An array object represents a multidimensional, homogeneous array\nof fixed-size items.  An associated data-type object describes the\nformat of each element in the array (its byte-order, how many bytes it\noccupies in memory, whether it is an integer, a floating point number,\nor something else, etc.)
    \n\n
    Arrays should be constructed using array, zeros or empty (refer\nto the See Also section below).  The parameters given here refer to\na low-level method (ndarray(...)) for instantiating an array.
    \n\n
    For more information, refer to the numpy module and examine the\nmethods and attributes of an array.
    \n\n
    Parameters
    \n\n
      \n
    • (for the __new__ method; see Notes below)
      • \n
    • shape (tuple of ints):\nShape of created array.
      • \n
    • dtype (data-type, optional):\nAny object that can be interpreted as a numpy data type.
      • \n
    • buffer (object exposing buffer interface, optional):\nUsed to fill the array with data.
      • \n
    • offset (int, optional):\nOffset of array data in buffer.
      • \n
    • strides (tuple of ints, optional):\nStrides of data in memory.
      • \n
    • order ({'C', 'F'}, optional):\nRow-major (C-style) or column-major (Fortran-style) order.
      • \n
    \n\n
    Attributes
    \n\n
      \n
    • T (ndarray):\nTranspose of the array.
      • \n
    • data (buffer):\nThe array's elements, in memory.
      • \n
    • dtype (dtype object):\nDescribes the format of the elements in the array.
      • \n
    • flags (dict):\nDictionary containing information related to memory use, e.g.,\n'C_CONTIGUOUS', 'OWNDATA', 'WRITEABLE', etc.
      • \n
    • flat (numpy.flatiter object):\nFlattened version of the array as an iterator.  The iterator\nallows assignments, e.g., x.flat = 3 (See ndarray.flat for\nassignment examples; TODO).
      • \n
    • imag (ndarray):\nImaginary part of the array.
      • \n
    • real (ndarray):\nReal part of the array.
      • \n
    • size (int):\nNumber of elements in the array.
      • \n
    • itemsize (int):\nThe memory use of each array element in bytes.
      • \n
    • nbytes (int):\nThe total number of bytes required to store the array data,\ni.e., itemsize * size.
      • \n
    • ndim (int):\nThe array's number of dimensions.
      • \n
    • shape (tuple of ints):\nShape of the array.
      • \n
    • strides (tuple of ints):\nThe step-size required to move from one element to the next in\nmemory. For example, a contiguous (3, 4) array of type\nint16 in C-order has strides (8, 2).  This implies that\nto move from element to element in memory requires jumps of 2 bytes.\nTo move from row-to-row, one needs to jump 8 bytes at a time\n(2 * 4).
      • \n
    • ctypes (ctypes object):\nClass containing properties of the array needed for interaction\nwith ctypes.
      • \n
    • base (ndarray):\nIf the array is a view into another array, that array is its base\n(unless that array is also a view).  The base array is where the\narray data is actually stored.
      • \n
    \n\n
    See Also
    \n\n
    array:  Construct an array. 
    \nzeros:  Create an array, each element of which is zero. 
    \nempty:  Create an array, but leave its allocated memory unchanged (i.e.,\nit contains \"garbage\"). 
    \ndtype:  Create a data-type. 
    \nnumpy.typing.NDArray:  An ndarray alias :term:generic <generic type>\nw.r.t. its dtype.type <numpy.dtype.type>.  
    \n\n
    Notes
    \n\n
    There are two modes of creating an array using __new__:
    \n\n
      \n
    1. If buffer is None, then only shape, dtype, and order\nare used.
      2. \n
    2. If buffer is an object exposing the buffer interface, then\nall keywords are interpreted.
      3. \n
    \n\n
    No __init__ method is needed because the array is fully initialized\nafter the __new__ method.
    \n\n
    Examples
    \n\n
    These examples illustrate the low-level ndarray constructor.  Refer\nto the See Also section above for easier ways of constructing an\nndarray.
    \n\n
    First mode, buffer is None:
    \n\n
    \n
    >>> np.ndarray(shape=(2,2), dtype=float, order='F')\narray([[0.0e+000, 0.0e+000], # random\n       [     nan, 2.5e-323]])\n
    \n
    \n\n
    Second mode:
    \n\n
    \n
    >>> np.ndarray((2,), buffer=np.array([1,2,3]),\n...            offset=np.int_().itemsize,\n...            dtype=int) # offset = 1*itemsize, i.e. skip first element\narray([2, 3])\n
    \n
    \n", "bases": "numpy.ndarray"}, "pyerrors.input.hadrons.Npr_matrix.__init__": {"fullname": "pyerrors.input.hadrons.Npr_matrix.__init__", "modulename": "pyerrors.input.hadrons", "qualname": "Npr_matrix.__init__", "type": "function", "doc": "
    \n", "signature": "()"}, "pyerrors.input.hadrons.Npr_matrix.g5H": {"fullname": "pyerrors.input.hadrons.Npr_matrix.g5H", "modulename": "pyerrors.input.hadrons", "qualname": "Npr_matrix.g5H", "type": "variable", "doc": "
    Gamma_5 hermitean conjugate
    \n\n
    Uses the fact that the propagator is gamma5 hermitean, so just the\nin and out momenta of the propagator are exchanged.
    \n"}, "pyerrors.input.hadrons.read_ExternalLeg_hd5": {"fullname": "pyerrors.input.hadrons.read_ExternalLeg_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_ExternalLeg_hd5", "type": "function", "doc": "
    Read hadrons ExternalLeg hdf5 file and output an array of CObs
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the files to read
      • \n
    • filestem (str):\nnamestem of the files to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    \n", "signature": "(path, filestem, ens_id, idl=None):", "funcdef": "def"}, "pyerrors.input.hadrons.read_Bilinear_hd5": {"fullname": "pyerrors.input.hadrons.read_Bilinear_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_Bilinear_hd5", "type": "function", "doc": "
    Read hadrons Bilinear hdf5 file and output an array of CObs
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the files to read
      • \n
    • filestem (str):\nnamestem of the files to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    \n", "signature": "(path, filestem, ens_id, idl=None):", "funcdef": "def"}, "pyerrors.input.hadrons.read_Fourquark_hd5": {"fullname": "pyerrors.input.hadrons.read_Fourquark_hd5", "modulename": "pyerrors.input.hadrons", "qualname": "read_Fourquark_hd5", "type": "function", "doc": "
    Read hadrons FourquarkFullyConnected hdf5 file and output an array of CObs
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the files to read
      • \n
    • filestem (str):\nnamestem of the files to read
      • \n
    • ens_id (str):\nname of the ensemble, required for internal bookkeeping
      • \n
    • idl (range):\nIf specified only configurations in the given range are read in.
      • \n
    • vertices (list):\nVertex functions to be extracted.
      • \n
    \n", "signature": "(path, filestem, ens_id, idl=None, vertices=['VA', 'AV']):", "funcdef": "def"}, "pyerrors.input.json": {"fullname": "pyerrors.input.json", "modulename": "pyerrors.input.json", "type": "module", "doc": "
    \n"}, "pyerrors.input.json.create_json_string": {"fullname": "pyerrors.input.json.create_json_string", "modulename": "pyerrors.input.json", "qualname": "create_json_string", "type": "function", "doc": "
    Generate the string for the export of a list of Obs or structures containing Obs\nto a .json(.gz) file
    \n\n
    Parameters
    \n\n
      \n
    • ol (list):\nList of objects that will be exported. At the moment, these objects can be\neither of: Obs, list, numpy.ndarray, Corr.\nAll Obs inside a structure have to be defined on the same set of configurations.
      • \n
    • description (str):\nOptional string that describes the contents of the json file.
      • \n
    • indent (int):\nSpecify the indentation level of the json file. None or 0 is permissible and\nsaves disk space.
      • \n
    \n", "signature": "(ol, description='', indent=1):", "funcdef": "def"}, "pyerrors.input.json.dump_to_json": {"fullname": "pyerrors.input.json.dump_to_json", "modulename": "pyerrors.input.json", "qualname": "dump_to_json", "type": "function", "doc": "
    Export a list of Obs or structures containing Obs to a .json(.gz) file
    \n\n
    Parameters
    \n\n
      \n
    • ol (list):\nList of objects that will be exported. At the moment, these objects can be\neither of: Obs, list, numpy.ndarray, Corr.\nAll Obs inside a structure have to be defined on the same set of configurations.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • description (str):\nOptional string that describes the contents of the json file.
      • \n
    • indent (int):\nSpecify the indentation level of the json file. None or 0 is permissible and\nsaves disk space.
      • \n
    • gz (bool):\nIf True, the output is a gzipped json. If False, the output is a json file.
      • \n
    \n", "signature": "(ol, fname, description='', indent=1, gz=True):", "funcdef": "def"}, "pyerrors.input.json.import_json_string": {"fullname": "pyerrors.input.json.import_json_string", "modulename": "pyerrors.input.json", "qualname": "import_json_string", "type": "function", "doc": "
    Reconstruct a list of Obs or structures containing Obs from a json string.
    \n\n
    The following structures are supported: Obs, list, numpy.ndarray, Corr\nIf the list contains only one element, it is unpacked from the list.
    \n\n
    Parameters
    \n\n
      \n
    • json_string (str):\njson string containing the data.
      • \n
    • verbose (bool):\nPrint additional information that was written to the file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned.
      • \n
    \n", "signature": "(json_string, verbose=True, full_output=False):", "funcdef": "def"}, "pyerrors.input.json.load_json": {"fullname": "pyerrors.input.json.load_json", "modulename": "pyerrors.input.json", "qualname": "load_json", "type": "function", "doc": "
    Import a list of Obs or structures containing Obs from a .json(.gz) file.
    \n\n
    The following structures are supported: Obs, list, numpy.ndarray, Corr\nIf the list contains only one element, it is unpacked from the list.
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • verbose (bool):\nPrint additional information that was written to the file.
      • \n
    • gz (bool):\nIf True, assumes that data is gzipped. If False, assumes JSON file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned.
      • \n
    \n", "signature": "(fname, verbose=True, gz=True, full_output=False):", "funcdef": "def"}, "pyerrors.input.json.dump_dict_to_json": {"fullname": "pyerrors.input.json.dump_dict_to_json", "modulename": "pyerrors.input.json", "qualname": "dump_dict_to_json", "type": "function", "doc": "
    Export a dict of Obs or structures containing Obs to a .json(.gz) file
    \n\n
    Parameters
    \n\n
      \n
    • od (dict):\nDict of JSON valid structures and objects that will be exported.\nAt the moment, these objects can be either of: Obs, list, numpy.ndarray, Corr.\nAll Obs inside a structure have to be defined on the same set of configurations.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • description (str):\nOptional string that describes the contents of the json file.
      • \n
    • indent (int):\nSpecify the indentation level of the json file. None or 0 is permissible and\nsaves disk space.
      • \n
    • reps (str):\nSpecify the structure of the placeholder in exported dict to be reps[0-9]+.
      • \n
    • gz (bool):\nIf True, the output is a gzipped json. If False, the output is a json file.
      • \n
    \n", "signature": "(od, fname, description='', indent=1, reps='DICTOBS', gz=True):", "funcdef": "def"}, "pyerrors.input.json.load_json_dict": {"fullname": "pyerrors.input.json.load_json_dict", "modulename": "pyerrors.input.json", "qualname": "load_json_dict", "type": "function", "doc": "
    Import a dict of Obs or structures containing Obs from a .json(.gz) file.
    \n\n
    The following structures are supported: Obs, list, numpy.ndarray, Corr
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • verbose (bool):\nPrint additional information that was written to the file.
      • \n
    • gz (bool):\nIf True, assumes that data is gzipped. If False, assumes JSON file.
      • \n
    • full_output (bool):\nIf True, a dict containing auxiliary information and the data is returned.\nIf False, only the data is returned.
      • \n
    • reps (str):\nSpecify the structure of the placeholder in imported dict to be reps[0-9]+.
      • \n
    \n", "signature": "(fname, verbose=True, gz=True, full_output=False, reps='DICTOBS'):", "funcdef": "def"}, "pyerrors.input.misc": {"fullname": "pyerrors.input.misc", "modulename": "pyerrors.input.misc", "type": "module", "doc": "
    \n"}, "pyerrors.input.misc.read_pbp": {"fullname": "pyerrors.input.misc.read_pbp", "modulename": "pyerrors.input.misc", "qualname": "read_pbp", "type": "function", "doc": "
    Read pbp format from given folder structure. Returns a list of length nrw
    \n\n
    Parameters
    \n\n
      \n
    • r_start (list):\nlist which contains the first config to be read for each replicum
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum
      • \n
    \n", "signature": "(path, prefix, **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD": {"fullname": "pyerrors.input.openQCD", "modulename": "pyerrors.input.openQCD", "type": "module", "doc": "
    \n"}, "pyerrors.input.openQCD.read_rwms": {"fullname": "pyerrors.input.openQCD.read_rwms", "modulename": "pyerrors.input.openQCD", "qualname": "read_rwms", "type": "function", "doc": "
    Read rwms format from given folder structure. Returns a list of length nrw
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath that contains the data files
      • \n
    • prefix (str):\nall files in path that start with prefix are considered as input files.\nMay be used together postfix to consider only special file endings.\nPrefix is ignored, if the keyword 'files' is used.
      • \n
    • version (str):\nversion of openQCD, default 2.0
      • \n
    • names (list):\nlist of names that is assigned to the data according according\nto the order in the file list. Use careful, if you do not provide file names!
      • \n
    • r_start (list):\nlist which contains the first config to be read for each replicum
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum
      • \n
    • r_step (int):\ninteger that defines a fixed step size between two measurements (in units of configs)\nIf not given, r_step=1 is assumed.
      • \n
    • postfix (str):\npostfix of the file to read, e.g. '.ms1' for openQCD-files
      • \n
    • files (list):\nlist which contains the filenames to be read. No automatic detection of\nfiles performed if given.
      • \n
    • print_err (bool):\nPrint additional information that is useful for debugging.
      • \n
    \n", "signature": "(path, prefix, version='2.0', names=None, **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD.extract_t0": {"fullname": "pyerrors.input.openQCD.extract_t0", "modulename": "pyerrors.input.openQCD", "qualname": "extract_t0", "type": "function", "doc": "
    Extract t0 from given .ms.dat files. Returns t0 as Obs.
    \n\n
    It is assumed that all boundary effects have\nsufficiently decayed at x0=xmin.\nThe data around the zero crossing of t^2 - 0.3\nis fitted with a linear function\nfrom which the exact root is extracted.
    \n\n
    It is assumed that one measurement is performed for each config.\nIf this is not the case, the resulting idl, as well as the handling\nof r_start, r_stop and r_step is wrong and the user has to correct\nthis in the resulting observable.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\nPath to .ms.dat files
      • \n
    • prefix (str):\nEnsemble prefix
      • \n
    • dtr_read (int):\nDetermines how many trajectories should be skipped\nwhen reading the ms.dat files.\nCorresponds to dtr_cnfg / dtr_ms in the openQCD input file.
      • \n
    • xmin (int):\nFirst timeslice where the boundary\neffects have sufficiently decayed.
      • \n
    • spatial_extent (int):\nspatial extent of the lattice, required for normalization.
      • \n
    • fit_range (int):\nNumber of data points left and right of the zero\ncrossing to be included in the linear fit. (Default: 5)
      • \n
    • r_start (list):\nlist which contains the first config to be read for each replicum.
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum.
      • \n
    • r_step (int):\ninteger that defines a fixed step size between two measurements (in units of configs)\nIf not given, r_step=1 is assumed.
      • \n
    • plaquette (bool):\nIf true extract the plaquette estimate of t0 instead.
      • \n
    • names (list):\nlist of names that is assigned to the data according according\nto the order in the file list. Use careful, if you do not provide file names!
      • \n
    • files (list):\nlist which contains the filenames to be read. No automatic detection of\nfiles performed if given.
      • \n
    • plot_fit (bool):\nIf true, the fit for the extraction of t0 is shown together with the data.
      • \n
    • assume_thermalization (bool):\nIf True: If the first record divided by the distance between two measurements is larger than\n1, it is assumed that this is due to thermalization and the first measurement belongs\nto the first config (default).\nIf False: The config numbers are assumed to be traj_number // difference
      • \n
    \n", "signature": "(path, prefix, dtr_read, xmin, spatial_extent, fit_range=5, **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD.read_qtop": {"fullname": "pyerrors.input.openQCD.read_qtop", "modulename": "pyerrors.input.openQCD", "qualname": "read_qtop", "type": "function", "doc": "
    Read the topologial charge based on openQCD gradient flow measurements.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath of the measurement files
      • \n
    • prefix (str):\nprefix of the measurement files, e.g. _id0_r0.ms.dat.\nIgnored if file names are passed explicitly via keyword files.
      • \n
    • c (double):\nSmearing radius in units of the lattice extent, c = sqrt(8 t0) / L.
      • \n
    • dtr_cnfg (int):\n(optional) parameter that specifies the number of measurements\nbetween two configs.\nIf it is not set, the distance between two measurements\nin the file is assumed to be the distance between two configurations.
      • \n
    • steps (int):\n(optional) Distance between two configurations in units of trajectories /\n cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given
      • \n
    • version (str):\nEither openQCD or sfqcd, depending on the data.
      • \n
    • L (int):\nspatial length of the lattice in L/a.\nHAS to be set if version != sfqcd, since openQCD does not provide\nthis in the header
      • \n
    • r_start (list):\nlist which contains the first config to be read for each replicum.
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum.
      • \n
    • files (list):\nspecify the exact files that need to be read\nfrom path, practical if e.g. only one replicum is needed
      • \n
    • names (list):\nAlternative labeling for replicas/ensembles.\nHas to have the appropriate length.
      • \n
    • Zeuthen_flow (bool):\n(optional) If True, the Zeuthen flow is used for Qtop. Only possible\nfor version=='sfqcd' If False, the Wilson flow is used.
      • \n
    • integer_charge (bool):\nIf True, the charge is rounded towards the nearest integer on each config.
      • \n
    \n", "signature": "(path, prefix, c, dtr_cnfg=1, version='openQCD', **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD.read_gf_coupling": {"fullname": "pyerrors.input.openQCD.read_gf_coupling", "modulename": "pyerrors.input.openQCD", "qualname": "read_gf_coupling", "type": "function", "doc": "
    Read the gradient flow coupling based on sfqcd gradient flow measurements. See 1607.06423 for details.
    \n\n
    Note: The current implementation only works for c=0.3 and T=L. The definition of the coupling in 1607.06423 requires projection to topological charge zero which is not done within this function but has to be performed in a separate step.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath of the measurement files
      • \n
    • prefix (str):\nprefix of the measurement files, e.g. _id0_r0.ms.dat.\nIgnored if file names are passed explicitly via keyword files.
      • \n
    • c (double):\nSmearing radius in units of the lattice extent, c = sqrt(8 t0) / L.
      • \n
    • dtr_cnfg (int):\n(optional) parameter that specifies the number of measurements\nbetween two configs.\nIf it is not set, the distance between two measurements\nin the file is assumed to be the distance between two configurations.
      • \n
    • steps (int):\n(optional) Distance between two configurations in units of trajectories /\n cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given
      • \n
    • r_start (list):\nlist which contains the first config to be read for each replicum.
      • \n
    • r_stop (list):\nlist which contains the last config to be read for each replicum.
      • \n
    • files (list):\nspecify the exact files that need to be read\nfrom path, practical if e.g. only one replicum is needed
      • \n
    • names (list):\nAlternative labeling for replicas/ensembles.\nHas to have the appropriate length.
      • \n
    • Zeuthen_flow (bool):\n(optional) If True, the Zeuthen flow is used for the coupling. If False, the Wilson flow is used.
      • \n
    \n", "signature": "(path, prefix, c, dtr_cnfg=1, Zeuthen_flow=True, **kwargs):", "funcdef": "def"}, "pyerrors.input.openQCD.qtop_projection": {"fullname": "pyerrors.input.openQCD.qtop_projection", "modulename": "pyerrors.input.openQCD", "qualname": "qtop_projection", "type": "function", "doc": "
    Returns the projection to the topological charge sector defined by target.
    \n\n
    Parameters
    \n\n
      \n
    • path (Obs):\nTopological charge.
      • \n
    • target (int):\nSpecifies the topological sector to be reweighted to (default 0)
      • \n
    \n", "signature": "(qtop, target=0):", "funcdef": "def"}, "pyerrors.input.openQCD.read_qtop_sector": {"fullname": "pyerrors.input.openQCD.read_qtop_sector", "modulename": "pyerrors.input.openQCD", "qualname": "read_qtop_sector", "type": "function", "doc": "
    Constructs reweighting factors to a specified topological sector.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath of the measurement files
      • \n
    • prefix (str):\nprefix of the measurement files, e.g. _id0_r0.ms.dat
      • \n
    • c (double):\nSmearing radius in units of the lattice extent, c = sqrt(8 t0) / L
      • \n
    • target (int):\nSpecifies the topological sector to be reweighted to (default 0)
      • \n
    • dtr_cnfg (int):\n(optional) parameter that specifies the number of trajectories\nbetween two configs.\nif it is not set, the distance between two measurements\nin the file is assumed to be the distance between two configurations.
      • \n
    • steps (int):\n(optional) Distance between two configurations in units of trajectories /\n cycles. Assumed to be the distance between two measurements * dtr_cnfg if not given
      • \n
    • version (str):\nversion string of the openQCD (sfqcd) version used to create\nthe ensemble. Default is 2.0. May also be set to sfqcd.
      • \n
    • L (int):\nspatial length of the lattice in L/a.\nHAS to be set if version != sfqcd, since openQCD does not provide\nthis in the header
      • \n
    • r_start (list):\noffset of the first ensemble, making it easier to match\nlater on with other Obs
      • \n
    • r_stop (list):\nlast configurations that need to be read (per replicum)
      • \n
    • files (list):\nspecify the exact files that need to be read\nfrom path, practical if e.g. only one replicum is needed
      • \n
    • names (list):\nAlternative labeling for replicas/ensembles.\nHas to have the appropriate length
      • \n
    • Zeuthen_flow (bool):\n(optional) If True, the Zeuthen flow is used for Qtop. Only possible\nfor version=='sfqcd' If False, the Wilson flow is used.
      • \n
    \n", "signature": "(path, prefix, c, target=0, **kwargs):", "funcdef": "def"}, "pyerrors.input.pandas": {"fullname": "pyerrors.input.pandas", "modulename": "pyerrors.input.pandas", "type": "module", "doc": "
    \n"}, "pyerrors.input.pandas.to_sql": {"fullname": "pyerrors.input.pandas.to_sql", "modulename": "pyerrors.input.pandas", "qualname": "to_sql", "type": "function", "doc": "
    Write DataFrame including Obs or Corr valued columns to sqlite database.
    \n\n
    Parameters
    \n\n
      \n
    • df (pandas.DataFrame):\nDataframe to be written to the database.
      • \n
    • table_name (str):\nName of the table in the database.
      • \n
    • db (str):\nPath to the sqlite database.
      • \n
    • if exists (str):\nHow to behave if table already exists. Options 'fail', 'replace', 'append'.
      • \n
    • gz (bool):\nIf True the json strings are gzipped.
      • \n
    \n", "signature": "(df, table_name, db, if_exists='fail', gz=True, **kwargs):", "funcdef": "def"}, "pyerrors.input.pandas.read_sql": {"fullname": "pyerrors.input.pandas.read_sql", "modulename": "pyerrors.input.pandas", "qualname": "read_sql", "type": "function", "doc": "
    Execute SQL query on sqlite database and obtain DataFrame including Obs or Corr valued columns.
    \n\n
    Parameters
    \n\n
      \n
    • sql (str):\nSQL query to be executed.
      • \n
    • db (str):\nPath to the sqlite database.
      • \n
    • auto_gamma (bool):\nIf True applies the gamma_method to all imported Obs objects with the default parameters for\nthe error analysis. Default False.
      • \n
    \n", "signature": "(sql, db, auto_gamma=False, **kwargs):", "funcdef": "def"}, "pyerrors.input.pandas.dump_df": {"fullname": "pyerrors.input.pandas.dump_df", "modulename": "pyerrors.input.pandas", "qualname": "dump_df", "type": "function", "doc": "
    Exports a pandas DataFrame containing Obs valued columns to a (gzipped) csv file.
    \n\n
    Before making use of pandas to_csv functionality Obs objects are serialized via the standardized\njson format of pyerrors.
    \n\n
    Parameters
    \n\n
      \n
    • df (pandas.DataFrame):\nDataframe to be dumped to a file.
      • \n
    • fname (str):\nFilename of the output file.
      • \n
    • gz (bool):\nIf True, the output is a gzipped csv file. If False, the output is a csv file.
      • \n
    \n", "signature": "(df, fname, gz=True):", "funcdef": "def"}, "pyerrors.input.pandas.load_df": {"fullname": "pyerrors.input.pandas.load_df", "modulename": "pyerrors.input.pandas", "qualname": "load_df", "type": "function", "doc": "
    Imports a pandas DataFrame from a csv.(gz) file in which Obs objects are serialized as json strings.
    \n\n
    Parameters
    \n\n
      \n
    • fname (str):\nFilename of the input file.
      • \n
    • auto_gamma (bool):\nIf True applies the gamma_method to all imported Obs objects with the default parameters for\nthe error analysis. Default False.
      • \n
    • gz (bool):\nIf True, assumes that data is gzipped. If False, assumes JSON file.
      • \n
    \n", "signature": "(fname, auto_gamma=False, gz=True):", "funcdef": "def"}, "pyerrors.input.sfcf": {"fullname": "pyerrors.input.sfcf", "modulename": "pyerrors.input.sfcf", "type": "module", "doc": "
    \n"}, "pyerrors.input.sfcf.read_sfcf": {"fullname": "pyerrors.input.sfcf.read_sfcf", "modulename": "pyerrors.input.sfcf", "qualname": "read_sfcf", "type": "function", "doc": "
    Read sfcf c format from given folder structure.
    \n\n
    Parameters
    \n\n
      \n
    • quarks (str):\nLabel of the quarks used in the sfcf input file. e.g. \"quark quark\"\nfor version 0.0 this does NOT need to be given with the typical \" - \"\nthat is present in the output file,\nthis is done automatically for this version
      • \n
    • noffset (int):\nOffset of the source (only relevant when wavefunctions are used)
      • \n
    • wf (int):\nID of wave function
      • \n
    • wf2 (int):\nID of the second wavefunction\n(only relevant for boundary-to-boundary correlation functions)
      • \n
    • im (bool):\nif True, read imaginary instead of real part\nof the correlation function.
      • \n
    • corr_type (str):\nchange between bi (boundary - inner) (default) bib (boundary - inner - boundary) and bb (boundary - boundary)\ncorrelator types
      • \n
    • names (list):\nAlternative labeling for replicas/ensembles.\nHas to have the appropriate length
      • \n
    • ens_name (str):\nreplaces the name of the ensemble
      • \n
    • version (str):\nversion of SFCF, with which the measurement was done.\nif the compact output option (-c) was specified,\nappend a \"c\" to the version (e.g. \"1.0c\")\nif the append output option (-a) was specified,\nappend an \"a\" to the version
      • \n
    • cfg_separator (str):\nString that separates the ensemble identifier from the configuration number (default 'n').
      • \n
    • replica (list):\nlist of replica to be read, default is all
      • \n
    • files (list):\nlist of files to be read per replica, default is all.\nfor non-compact output format, hand the folders to be read here.
      • \n
    • check_configs:: list of list of supposed configs, eg. [range(1,1000)]\nfor one replicum with 1000 configs
      • \n
    \n", "signature": "(\tpath,\tprefix,\tname,\tquarks='.*',\tcorr_type='bi',\tnoffset=0,\twf=0,\twf2=0,\tversion='1.0c',\tcfg_separator='n',\t**kwargs):", "funcdef": "def"}, "pyerrors.input.utils": {"fullname": "pyerrors.input.utils", "modulename": "pyerrors.input.utils", "type": "module", "doc": "
    Utilities for the input
    \n"}, "pyerrors.input.utils.check_idl": {"fullname": "pyerrors.input.utils.check_idl", "modulename": "pyerrors.input.utils", "qualname": "check_idl", "type": "function", "doc": "
    Checks if list of configurations is contained in an idl
    \n\n
    Parameters
    \n\n
      \n
    • idl (range or list):\nidl of the current replicum
      • \n
    • che (list):\nlist of configurations to be checked against
      • \n
    \n", "signature": "(idl, che):", "funcdef": "def"}, "pyerrors.linalg": {"fullname": "pyerrors.linalg", "modulename": "pyerrors.linalg", "type": "module", "doc": "
    \n"}, "pyerrors.linalg.matmul": {"fullname": "pyerrors.linalg.matmul", "modulename": "pyerrors.linalg", "qualname": "matmul", "type": "function", "doc": "
    Matrix multiply all operands.
    \n\n
    Parameters
    \n\n
      \n
    • operands (numpy.ndarray):\nArbitrary number of 2d-numpy arrays which can be real or complex\nObs valued.
      • \n
    • This implementation is faster compared to standard multiplication via the @ operator.
      • \n
    \n", "signature": "(*operands):", "funcdef": "def"}, "pyerrors.linalg.jack_matmul": {"fullname": "pyerrors.linalg.jack_matmul", "modulename": "pyerrors.linalg", "qualname": "jack_matmul", "type": "function", "doc": "
    Matrix multiply both operands making use of the jackknife approximation.
    \n\n
    Parameters
    \n\n
      \n
    • operands (numpy.ndarray):\nArbitrary number of 2d-numpy arrays which can be real or complex\nObs valued.
      • \n
    • For large matrices this is considerably faster compared to matmul.
      • \n
    \n", "signature": "(*operands):", "funcdef": "def"}, "pyerrors.linalg.einsum": {"fullname": "pyerrors.linalg.einsum", "modulename": "pyerrors.linalg", "qualname": "einsum", "type": "function", "doc": "
    Wrapper for numpy.einsum
    \n\n
    Parameters
    \n\n
      \n
    • subscripts (str):\nSubscripts for summation (see numpy documentation for details)
      • \n
    • operands (numpy.ndarray):\nArbitrary number of 2d-numpy arrays which can be real or complex\nObs valued.
      • \n
    \n", "signature": "(subscripts, *operands):", "funcdef": "def"}, "pyerrors.linalg.inv": {"fullname": "pyerrors.linalg.inv", "modulename": "pyerrors.linalg", "qualname": "inv", "type": "function", "doc": "
    Inverse of Obs or CObs valued matrices.
    \n", "signature": "(x):", "funcdef": "def"}, "pyerrors.linalg.cholesky": {"fullname": "pyerrors.linalg.cholesky", "modulename": "pyerrors.linalg", "qualname": "cholesky", "type": "function", "doc": "
    Cholesky decomposition of Obs valued matrices.
    \n", "signature": "(x):", "funcdef": "def"}, "pyerrors.linalg.det": {"fullname": "pyerrors.linalg.det", "modulename": "pyerrors.linalg", "qualname": "det", "type": "function", "doc": "
    Determinant of Obs valued matrices.
    \n", "signature": "(x):", "funcdef": "def"}, "pyerrors.linalg.eigh": {"fullname": "pyerrors.linalg.eigh", "modulename": "pyerrors.linalg", "qualname": "eigh", "type": "function", "doc": "
    Computes the eigenvalues and eigenvectors of a given hermitian matrix of Obs according to np.linalg.eigh.
    \n", "signature": "(obs, **kwargs):", "funcdef": "def"}, "pyerrors.linalg.eig": {"fullname": "pyerrors.linalg.eig", "modulename": "pyerrors.linalg", "qualname": "eig", "type": "function", "doc": "
    Computes the eigenvalues of a given matrix of Obs according to np.linalg.eig.
    \n", "signature": "(obs, **kwargs):", "funcdef": "def"}, "pyerrors.linalg.pinv": {"fullname": "pyerrors.linalg.pinv", "modulename": "pyerrors.linalg", "qualname": "pinv", "type": "function", "doc": "
    Computes the Moore-Penrose pseudoinverse of a matrix of Obs.
    \n", "signature": "(obs, **kwargs):", "funcdef": "def"}, "pyerrors.linalg.svd": {"fullname": "pyerrors.linalg.svd", "modulename": "pyerrors.linalg", "qualname": "svd", "type": "function", "doc": "
    Computes the singular value decomposition of a matrix of Obs.
    \n", "signature": "(obs, **kwargs):", "funcdef": "def"}, "pyerrors.misc": {"fullname": "pyerrors.misc", "modulename": "pyerrors.misc", "type": "module", "doc": "
    \n"}, "pyerrors.misc.dump_object": {"fullname": "pyerrors.misc.dump_object", "modulename": "pyerrors.misc", "qualname": "dump_object", "type": "function", "doc": "
    Dump object into pickle file.
    \n\n
    Parameters
    \n\n
      \n
    • obj (object):\nobject to be saved in the pickle file
      • \n
    • name (str):\nname of the file
      • \n
    • path (str):\nspecifies a custom path for the file (default '.')
      • \n
    \n", "signature": "(obj, name, **kwargs):", "funcdef": "def"}, "pyerrors.misc.load_object": {"fullname": "pyerrors.misc.load_object", "modulename": "pyerrors.misc", "qualname": "load_object", "type": "function", "doc": "
    Load object from pickle file.
    \n\n
    Parameters
    \n\n
      \n
    • path (str):\npath to the file
      • \n
    \n", "signature": "(path):", "funcdef": "def"}, "pyerrors.misc.pseudo_Obs": {"fullname": "pyerrors.misc.pseudo_Obs", "modulename": "pyerrors.misc", "qualname": "pseudo_Obs", "type": "function", "doc": "
    Generate an Obs object with given value, dvalue and name for test purposes
    \n\n
    Parameters
    \n\n
      \n
    • value (float):\ncentral value of the Obs to be generated.
      • \n
    • dvalue (float):\nerror of the Obs to be generated.
      • \n
    • name (str):\nname of the ensemble for which the Obs is to be generated.
      • \n
    • samples (int):\nnumber of samples for the Obs (default 1000).
      • \n
    \n", "signature": "(value, dvalue, name, samples=1000):", "funcdef": "def"}, "pyerrors.misc.gen_correlated_data": {"fullname": "pyerrors.misc.gen_correlated_data", "modulename": "pyerrors.misc", "qualname": "gen_correlated_data", "type": "function", "doc": "
    Generate observables with given covariance and autocorrelation times.
    \n\n
    Parameters
    \n\n
      \n
    • means (list):\nlist containing the mean value of each observable.
      • \n
    • cov (numpy.ndarray):\ncovariance matrix for the data to be generated.
      • \n
    • name (str):\nensemble name for the data to be geneated.
      • \n
    • tau (float or list):\ncan either be a real number or a list with an entry for\nevery dataset.
      • \n
    • samples (int):\nnumber of samples to be generated for each observable.
      • \n
    \n", "signature": "(means, cov, name, tau=0.5, samples=1000):", "funcdef": "def"}, "pyerrors.mpm": {"fullname": "pyerrors.mpm", "modulename": "pyerrors.mpm", "type": "module", "doc": "
    \n"}, "pyerrors.mpm.matrix_pencil_method": {"fullname": "pyerrors.mpm.matrix_pencil_method", "modulename": "pyerrors.mpm", "qualname": "matrix_pencil_method", "type": "function", "doc": "
    Matrix pencil method to extract k energy levels from data
    \n\n
    Implementation of the matrix pencil method based on\neq. (2.17) of Y. Hua, T. K. Sarkar, IEEE Trans. Acoust. 38, 814-824 (1990)
    \n\n
    Parameters
    \n\n
      \n
    • data (list):\ncan be a list of Obs for the analysis of a single correlator, or a list of lists\nof Obs if several correlators are to analyzed at once.
      • \n
    • k (int):\nNumber of states to extract (default 1).
      • \n
    • p (int):\nmatrix pencil parameter which filters noise. The optimal value is expected between\nlen(data)/3 and 2*len(data)/3. The computation is more expensive the closer p is\nto len(data)/2 but could possibly suppress more noise (default len(data)//2).
      • \n
    \n", "signature": "(corrs, k=1, p=None, **kwargs):", "funcdef": "def"}, "pyerrors.obs": {"fullname": "pyerrors.obs", "modulename": "pyerrors.obs", "type": "module", "doc": "
    \n"}, "pyerrors.obs.Obs": {"fullname": "pyerrors.obs.Obs", "modulename": "pyerrors.obs", "qualname": "Obs", "type": "class", "doc": "
    Class for a general observable.
    \n\n
    Instances of Obs are the basic objects of a pyerrors error analysis.\nThey are initialized with a list which contains arrays of samples for\ndifferent ensembles/replica and another list of same length which contains\nthe names of the ensembles/replica. Mathematical operations can be\nperformed on instances. The result is another instance of Obs. The error of\nan instance can be computed with the gamma_method. Also contains additional\nmethods for output and visualization of the error calculation.
    \n\n
    Attributes
    \n\n
      \n
    • S_global (float):\nStandard value for S (default 2.0)
      • \n
    • S_dict (dict):\nDictionary for S values. If an entry for a given ensemble\nexists this overwrites the standard value for that ensemble.
      • \n
    • tau_exp_global (float):\nStandard value for tau_exp (default 0.0)
      • \n
    • tau_exp_dict (dict):\nDictionary for tau_exp values. If an entry for a given ensemble exists\nthis overwrites the standard value for that ensemble.
      • \n
    • N_sigma_global (float):\nStandard value for N_sigma (default 1.0)
      • \n
    • N_sigma_dict (dict):\nDictionary for N_sigma values. If an entry for a given ensemble exists\nthis overwrites the standard value for that ensemble.
      • \n
    \n"}, "pyerrors.obs.Obs.__init__": {"fullname": "pyerrors.obs.Obs.__init__", "modulename": "pyerrors.obs", "qualname": "Obs.__init__", "type": "function", "doc": "
    Initialize Obs object.
    \n\n
    Parameters
    \n\n
      \n
    • samples (list):\nlist of numpy arrays containing the Monte Carlo samples
      • \n
    • names (list):\nlist of strings labeling the individual samples
      • \n
    • idl (list, optional):\nlist of ranges or lists on which the samples are defined
      • \n
    \n", "signature": "(samples, names, idl=None, **kwargs)"}, "pyerrors.obs.Obs.gamma_method": {"fullname": "pyerrors.obs.Obs.gamma_method", "modulename": "pyerrors.obs", "qualname": "Obs.gamma_method", "type": "function", "doc": "
    Estimate the error and related properties of the Obs.
    \n\n
    Parameters
    \n\n
      \n
    • S (float):\nspecifies a custom value for the parameter S (default 2.0).\nIf set to 0 it is assumed that the data exhibits no\nautocorrelation. In this case the error estimates coincides\nwith the sample standard error.
      • \n
    • tau_exp (float):\npositive value triggers the critical slowing down analysis\n(default 0.0).
      • \n
    • N_sigma (float):\nnumber of standard deviations from zero until the tail is\nattached to the autocorrelation function (default 1).
      • \n
    • fft (bool):\ndetermines whether the fft algorithm is used for the computation\nof the autocorrelation function (default True)
      • \n
    \n", "signature": "(self, **kwargs):", "funcdef": "def"}, "pyerrors.obs.Obs.details": {"fullname": "pyerrors.obs.Obs.details", "modulename": "pyerrors.obs", "qualname": "Obs.details", "type": "function", "doc": "
    Output detailed properties of the Obs.
    \n\n
    Parameters
    \n\n
      \n
    • ens_content (bool):\nprint details about the ensembles and replica if true.
      • \n
    \n", "signature": "(self, ens_content=True):", "funcdef": "def"}, "pyerrors.obs.Obs.reweight": {"fullname": "pyerrors.obs.Obs.reweight", "modulename": "pyerrors.obs", "qualname": "Obs.reweight", "type": "function", "doc": "
    Reweight the obs with given rewighting factors.
    \n\n
    Parameters
    \n\n
      \n
    • weight (Obs):\nReweighting factor. An Observable that has to be defined on a superset of the\nconfigurations in obs[i].idl for all i.
      • \n
    • all_configs (bool):\nif True, the reweighted observables are normalized by the average of\nthe reweighting factor on all configurations in weight.idl and not\non the configurations in obs[i].idl. Default False.
      • \n
    \n", "signature": "(self, weight):", "funcdef": "def"}, "pyerrors.obs.Obs.is_zero_within_error": {"fullname": "pyerrors.obs.Obs.is_zero_within_error", "modulename": "pyerrors.obs", "qualname": "Obs.is_zero_within_error", "type": "function", "doc": "
    Checks whether the observable is zero within 'sigma' standard errors.
    \n\n
    Parameters
    \n\n
      \n
    • sigma (int):\nNumber of standard errors used for the check.
      • \n
    • Works only properly when the gamma method was run.
      • \n
    \n", "signature": "(self, sigma=1):", "funcdef": "def"}, "pyerrors.obs.Obs.is_zero": {"fullname": "pyerrors.obs.Obs.is_zero", "modulename": "pyerrors.obs", "qualname": "Obs.is_zero", "type": "function", "doc": "
    Checks whether the observable is zero within a given tolerance.
    \n\n
    Parameters
    \n\n
      \n
    • atol (float):\nAbsolute tolerance (for details see numpy documentation).
      • \n
    \n", "signature": "(self, atol=1e-10):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_tauint": {"fullname": "pyerrors.obs.Obs.plot_tauint", "modulename": "pyerrors.obs", "qualname": "Obs.plot_tauint", "type": "function", "doc": "
    Plot integrated autocorrelation time for each ensemble.
    \n\n
    Parameters
    \n\n
      \n
    • save (str):\nsaves the figure to a file named 'save' if.
      • \n
    \n", "signature": "(self, save=None):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_rho": {"fullname": "pyerrors.obs.Obs.plot_rho", "modulename": "pyerrors.obs", "qualname": "Obs.plot_rho", "type": "function", "doc": "
    Plot normalized autocorrelation function time for each ensemble.
    \n\n
    Parameters
    \n\n
      \n
    • save (str):\nsaves the figure to a file named 'save' if.
      • \n
    \n", "signature": "(self, save=None):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_rep_dist": {"fullname": "pyerrors.obs.Obs.plot_rep_dist", "modulename": "pyerrors.obs", "qualname": "Obs.plot_rep_dist", "type": "function", "doc": "
    Plot replica distribution for each ensemble with more than one replicum.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_history": {"fullname": "pyerrors.obs.Obs.plot_history", "modulename": "pyerrors.obs", "qualname": "Obs.plot_history", "type": "function", "doc": "
    Plot derived Monte Carlo history for each ensemble
    \n\n
    Parameters
    \n\n
      \n
    • expand (bool):\nshow expanded history for irregular Monte Carlo chains (default: True).
      • \n
    \n", "signature": "(self, expand=True):", "funcdef": "def"}, "pyerrors.obs.Obs.plot_piechart": {"fullname": "pyerrors.obs.Obs.plot_piechart", "modulename": "pyerrors.obs", "qualname": "Obs.plot_piechart", "type": "function", "doc": "
    Plot piechart which shows the fractional contribution of each\nensemble to the error and returns a dictionary containing the fractions.
    \n\n
    Parameters
    \n\n
      \n
    • save (str):\nsaves the figure to a file named 'save' if.
      • \n
    \n", "signature": "(self, save=None):", "funcdef": "def"}, "pyerrors.obs.Obs.dump": {"fullname": "pyerrors.obs.Obs.dump", "modulename": "pyerrors.obs", "qualname": "Obs.dump", "type": "function", "doc": "
    Dump the Obs to a file 'name' of chosen format.
    \n\n
    Parameters
    \n\n
      \n
    • filename (str):\nname of the file to be saved.
      • \n
    • datatype (str):\nFormat of the exported file. Supported formats include\n\"json.gz\" and \"pickle\"
      • \n
    • description (str):\nDescription for output file, only relevant for json.gz format.
      • \n
    • path (str):\nspecifies a custom path for the file (default '.')
      • \n
    \n", "signature": "(self, filename, datatype='json.gz', description='', **kwargs):", "funcdef": "def"}, "pyerrors.obs.Obs.export_jackknife": {"fullname": "pyerrors.obs.Obs.export_jackknife", "modulename": "pyerrors.obs", "qualname": "Obs.export_jackknife", "type": "function", "doc": "
    Export jackknife samples from the Obs
    \n\n
    Returns
    \n\n
      \n
    • numpy.ndarray: Returns a numpy array of length N + 1 where N is the number of samples\nfor the given ensemble and replicum. The zeroth entry of the array contains\nthe mean value of the Obs, entries 1 to N contain the N jackknife samples\nderived from the Obs. The current implementation only works for observables\ndefined on exactly one ensemble and replicum. The derived jackknife samples\nshould agree with samples from a full jackknife analysis up to O(1/N).
      • \n
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.sqrt": {"fullname": "pyerrors.obs.Obs.sqrt", "modulename": "pyerrors.obs", "qualname": "Obs.sqrt", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.log": {"fullname": "pyerrors.obs.Obs.log", "modulename": "pyerrors.obs", "qualname": "Obs.log", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.exp": {"fullname": "pyerrors.obs.Obs.exp", "modulename": "pyerrors.obs", "qualname": "Obs.exp", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.sin": {"fullname": "pyerrors.obs.Obs.sin", "modulename": "pyerrors.obs", "qualname": "Obs.sin", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.cos": {"fullname": "pyerrors.obs.Obs.cos", "modulename": "pyerrors.obs", "qualname": "Obs.cos", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.tan": {"fullname": "pyerrors.obs.Obs.tan", "modulename": "pyerrors.obs", "qualname": "Obs.tan", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arcsin": {"fullname": "pyerrors.obs.Obs.arcsin", "modulename": "pyerrors.obs", "qualname": "Obs.arcsin", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arccos": {"fullname": "pyerrors.obs.Obs.arccos", "modulename": "pyerrors.obs", "qualname": "Obs.arccos", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arctan": {"fullname": "pyerrors.obs.Obs.arctan", "modulename": "pyerrors.obs", "qualname": "Obs.arctan", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.sinh": {"fullname": "pyerrors.obs.Obs.sinh", "modulename": "pyerrors.obs", "qualname": "Obs.sinh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.cosh": {"fullname": "pyerrors.obs.Obs.cosh", "modulename": "pyerrors.obs", "qualname": "Obs.cosh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.tanh": {"fullname": "pyerrors.obs.Obs.tanh", "modulename": "pyerrors.obs", "qualname": "Obs.tanh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arcsinh": {"fullname": "pyerrors.obs.Obs.arcsinh", "modulename": "pyerrors.obs", "qualname": "Obs.arcsinh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arccosh": {"fullname": "pyerrors.obs.Obs.arccosh", "modulename": "pyerrors.obs", "qualname": "Obs.arccosh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.Obs.arctanh": {"fullname": "pyerrors.obs.Obs.arctanh", "modulename": "pyerrors.obs", "qualname": "Obs.arctanh", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.CObs": {"fullname": "pyerrors.obs.CObs", "modulename": "pyerrors.obs", "qualname": "CObs", "type": "class", "doc": "
    Class for a complex valued observable.
    \n"}, "pyerrors.obs.CObs.__init__": {"fullname": "pyerrors.obs.CObs.__init__", "modulename": "pyerrors.obs", "qualname": "CObs.__init__", "type": "function", "doc": "
    \n", "signature": "(real, imag=0.0)"}, "pyerrors.obs.CObs.gamma_method": {"fullname": "pyerrors.obs.CObs.gamma_method", "modulename": "pyerrors.obs", "qualname": "CObs.gamma_method", "type": "function", "doc": "
    Executes the gamma_method for the real and the imaginary part.
    \n", "signature": "(self, **kwargs):", "funcdef": "def"}, "pyerrors.obs.CObs.is_zero": {"fullname": "pyerrors.obs.CObs.is_zero", "modulename": "pyerrors.obs", "qualname": "CObs.is_zero", "type": "function", "doc": "
    Checks whether both real and imaginary part are zero within machine precision.
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.CObs.conjugate": {"fullname": "pyerrors.obs.CObs.conjugate", "modulename": "pyerrors.obs", "qualname": "CObs.conjugate", "type": "function", "doc": "
    \n", "signature": "(self):", "funcdef": "def"}, "pyerrors.obs.derived_observable": {"fullname": "pyerrors.obs.derived_observable", "modulename": "pyerrors.obs", "qualname": "derived_observable", "type": "function", "doc": "
    Construct a derived Obs according to func(data, **kwargs) using automatic differentiation.
    \n\n
    Parameters
    \n\n
      \n
    • func (object):\narbitrary function of the form func(data, **kwargs). For the\nautomatic differentiation to work, all numpy functions have to have\nthe autograd wrapper (use 'import autograd.numpy as anp').
      • \n
    • data (list):\nlist of Obs, e.g. [obs1, obs2, obs3].
      • \n
    • num_grad (bool):\nif True, numerical derivatives are used instead of autograd\n(default False). To control the numerical differentiation the\nkwargs of numdifftools.step_generators.MaxStepGenerator\ncan be used.
      • \n
    • man_grad (list):\nmanually supply a list or an array which contains the jacobian\nof func. Use cautiously, supplying the wrong derivative will\nnot be intercepted.
      • \n
    \n\n
    Notes
    \n\n
    For simple mathematical operations it can be practical to use anonymous\nfunctions. For the ratio of two observables one can e.g. use
    \n\n
    new_obs = derived_observable(lambda x: x[0] / x[1], [obs1, obs2])
    \n", "signature": "(func, data, array_mode=False, **kwargs):", "funcdef": "def"}, "pyerrors.obs.reweight": {"fullname": "pyerrors.obs.reweight", "modulename": "pyerrors.obs", "qualname": "reweight", "type": "function", "doc": "
    Reweight a list of observables.
    \n\n
    Parameters
    \n\n
      \n
    • weight (Obs):\nReweighting factor. An Observable that has to be defined on a superset of the\nconfigurations in obs[i].idl for all i.
      • \n
    • obs (list):\nlist of Obs, e.g. [obs1, obs2, obs3].
      • \n
    • all_configs (bool):\nif True, the reweighted observables are normalized by the average of\nthe reweighting factor on all configurations in weight.idl and not\non the configurations in obs[i].idl. Default False.
      • \n
    \n", "signature": "(weight, obs, **kwargs):", "funcdef": "def"}, "pyerrors.obs.correlate": {"fullname": "pyerrors.obs.correlate", "modulename": "pyerrors.obs", "qualname": "correlate", "type": "function", "doc": "
    Correlate two observables.
    \n\n
    Parameters
    \n\n
      \n
    • obs_a (Obs):\nFirst observable
      • \n
    • obs_b (Obs):\nSecond observable
      • \n
    \n\n
    Notes
    \n\n
    Keep in mind to only correlate primary observables which have not been reweighted\nyet. The reweighting has to be applied after correlating the observables.\nCurrently only works if ensembles are identical (this is not strictly necessary).
    \n", "signature": "(obs_a, obs_b):", "funcdef": "def"}, "pyerrors.obs.covariance": {"fullname": "pyerrors.obs.covariance", "modulename": "pyerrors.obs", "qualname": "covariance", "type": "function", "doc": "
    Calculates the error covariance matrix of a set of observables.
    \n\n
    The gamma method has to be applied first to all observables.
    \n\n
    Parameters
    \n\n
      \n
    • obs (list or numpy.ndarray):\nList or one dimensional array of Obs
      • \n
    • visualize (bool):\nIf True plots the corresponding normalized correlation matrix (default False).
      • \n
    • correlation (bool):\nIf True the correlation matrix instead of the error covariance matrix is returned (default False).
      • \n
    • smooth (None or int):\nIf smooth is an integer 'E' between 2 and the dimension of the matrix minus 1 the eigenvalue\nsmoothing procedure of hep-lat/9412087 is applied to the correlation matrix which leaves the\nlargest E eigenvalues essentially unchanged and smoothes the smaller eigenvalues to avoid extremely\nsmall ones.
      • \n
    \n\n
    Notes
    \n\n
    The error covariance is defined such that it agrees with the squared standard error for two identical observables\n$$\\operatorname{cov}(a,a)=\\sum_{s=1}^N\\delta_a^s\\delta_a^s/N^2=\\Gamma_{aa}(0)/N=\\operatorname{var}(a)/N=\\sigma_a^2$$\nin the absence of autocorrelation.\nThe error covariance is estimated by calculating the correlation matrix assuming no autocorrelation and then rescaling the correlation matrix by the full errors including the previous gamma method estimate for the autocorrelation of the observables. The covariance at windowsize 0 is guaranteed to be positive semi-definite\n$$\\sum_{i,j}v_i\\Gamma_{ij}(0)v_j=\\frac{1}{N}\\sum_{s=1}^N\\sum_{i,j}v_i\\delta_i^s\\delta_j^s v_j=\\frac{1}{N}\\sum_{s=1}^N\\sum_{i}|v_i\\delta_i^s|^2\\geq 0\\,,$$ for every $v\\in\\mathbb{R}^M$, while such an identity does not hold for larger windows/lags.\nFor observables defined on a single ensemble our approximation is equivalent to assuming that the integrated autocorrelation time of an off-diagonal element is equal to the geometric mean of the integrated autocorrelation times of the corresponding diagonal elements.\n$$\\tau_{\\mathrm{int}, ij}=\\sqrt{\\tau_{\\mathrm{int}, i}\\times \\tau_{\\mathrm{int}, j}}$$\nThis construction ensures that the estimated covariance matrix is positive semi-definite (up to numerical rounding errors).
    \n", "signature": "(obs, visualize=False, correlation=False, smooth=None, **kwargs):", "funcdef": "def"}, "pyerrors.obs.import_jackknife": {"fullname": "pyerrors.obs.import_jackknife", "modulename": "pyerrors.obs", "qualname": "import_jackknife", "type": "function", "doc": "
    Imports jackknife samples and returns an Obs
    \n\n
    Parameters
    \n\n
      \n
    • jacks (numpy.ndarray):\nnumpy array containing the mean value as zeroth entry and\nthe N jackknife samples as first to Nth entry.
      • \n
    • name (str):\nname of the ensemble the samples are defined on.
      • \n
    \n", "signature": "(jacks, name, idl=None):", "funcdef": "def"}, "pyerrors.obs.merge_obs": {"fullname": "pyerrors.obs.merge_obs", "modulename": "pyerrors.obs", "qualname": "merge_obs", "type": "function", "doc": "
    Combine all observables in list_of_obs into one new observable
    \n\n
    Parameters
    \n\n
      \n
    • list_of_obs (list):\nlist of the Obs object to be combined
      • \n
    \n\n
    Notes
    \n\n
    It is not possible to combine obs which are based on the same replicum
    \n", "signature": "(list_of_obs):", "funcdef": "def"}, "pyerrors.obs.cov_Obs": {"fullname": "pyerrors.obs.cov_Obs", "modulename": "pyerrors.obs", "qualname": "cov_Obs", "type": "function", "doc": "
    Create an Obs based on mean(s) and a covariance matrix
    \n\n
    Parameters
    \n\n
      \n
    • mean (list of floats or float):\nN mean value(s) of the new Obs
      • \n
    • cov (list or array):\n2d (NxN) Covariance matrix, 1d diagonal entries or 0d covariance
      • \n
    • name (str):\nidentifier for the covariance matrix
      • \n
    • grad (list or array):\nGradient of the Covobs wrt. the means belonging to cov.
      • \n
    \n", "signature": "(means, cov, name, grad=None):", "funcdef": "def"}, "pyerrors.roots": {"fullname": "pyerrors.roots", "modulename": "pyerrors.roots", "type": "module", "doc": "
    \n"}, "pyerrors.roots.find_root": {"fullname": "pyerrors.roots.find_root", "modulename": "pyerrors.roots", "qualname": "find_root", "type": "function", "doc": "
    Finds the root of the function func(x, d) where d is an Obs.
    \n\n
    Parameters
    \n\n
      \n
    • d (Obs):\nObs passed to the function.
      • \n
    • func (object):\nFunction to be minimized. Any numpy functions have to use the autograd.numpy wrapper.\nExample:
      \n\n
      \n
      import autograd.numpy as anp\ndef root_func(x, d):\n   return anp.exp(-x ** 2) - d\n
      \n
      • \n
    • guess (float):\nInitial guess for the minimization.
      • \n
    \n\n
    Returns
    \n\n
      \n
    • Obs: Obs valued root of the function.
      • \n
    \n", "signature": "(d, func, guess=1.0, **kwargs):", "funcdef": "def"}, "pyerrors.version": {"fullname": "pyerrors.version", "modulename": "pyerrors.version", "type": "module", "doc": "
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