implement t0 and t1 import from openQCD, allow no param file for these

corrlib/input/openQCD.py

@@ -5,13 +5,14 @@ import fnmatch
 from typing import Any
 
 
-def read_param(path: str, project: str, file_in_project: str) -> dict[str, Any]:
+def read_ms1_param(path: str, project: str, file_in_project: str) -> dict[str, Any]:
-    file = path + "/projects/" + project + '/'  + file_in_project
+    file = os.path.join(path, "projects", project, file_in_project)
-    dl.get(file, dataset=path + "/projects/" + project)
+    ds = os.path.join(path, "projects", project)
+    dl.get(file, dataset=ds)
     with open(file, 'r') as fp:
         lines = fp.readlines()
         fp.close()
-    param = {}
+    param: dict[str, Any] = {}
     param['rw_fcts'] = []
     param['rand'] = {}
 
@@ -48,17 +49,34 @@ def read_param(path: str, project: str, file_in_project: str) -> dict[str, Any]:
             param["rw_fcts"][nrw]["irp"] = "None"
 
     return param
-    
 
-def read_rwms(path: str, project: str, dir_in_project: str, param: dict[str, Any], prefix: str, postfix: str="ms1", version: str='2.0', names: list[str]=None, files: list[str]=None):
+
-    directory = path + "/projects/" + project + '/' + dir_in_project
+def read_ms3_param(path: str, project: str, file_in_project: str) -> dict[str, Any]:
+    file = os.path.join(path, "projects", project, file_in_project)
+    ds = os.path.join(path, "projects", project)
+    dl.get(file, dataset=ds)
+    with open(file, 'r') as fp:
+        lines = fp.readlines()
+        fp.close()
+    param = {}
+    for line in lines:
+        line = line.strip()
+        for rwp in ["integrator", "eps", "ntot", "dnms"]:
+            if line.startswith(rwp):
+                param[rwp] = line.split()[1]
+    return param
+
+
+def read_rwms(path: str, project: str, dir_in_project: str, param: dict[str, Any], prefix: str, postfix: str="ms1", version: str='2.0', names: list[str]=None, files: list[str]=None) -> dict[str, Any]:
+    dataset = os.path.join(path, "projects", project)
+    directory = os.path.join(dataset, dir_in_project)
     if files is None:
         files = []
         for root, ds, fs in os.walk(directory):
             for f in fs:
                 if fnmatch.fnmatch(f, prefix + "*" + postfix + ".dat"):
                     files.append(f)
-    dl.get([directory + "/" + f for f in files], dataset=path + "/projects/" + project)
+    dl.get([os.path.join(directory, f) for f in files], dataset=dataset)
     kwargs = {}
     if names is not None:
         kwargs['names'] = names
@@ -73,4 +91,77 @@ def read_rwms(path: str, project: str, dir_in_project: str, param: dict[str, Any
             par_list.append(str(param["rw_fcts"][i][k]))
         pars = "/".join(par_list)
         rw_dict[param["type"]][pars] = rwms[i]
-    return rw_dict
+    return rw_dict
+
+
+def extract_t0(path: str, project: str, dir_in_project: str, param: dict[str, Any], prefix: str, dtr_read: int, xmin: int, spatial_extent: int, fit_range: int = 5, postfix: str=None, names: list[str]=None, files: list[str]=None) -> dict[str, Any]:
+    dataset = os.path.join(path, "projects", project)
+    directory = os.path.join(dataset, dir_in_project)
+    if files is None:
+        files = []
+        for root, ds, fs in os.walk(directory):
+            for f in fs:
+                if fnmatch.fnmatch(f, prefix + "*" + postfix + ".dat"):
+                    files.append(f)
+    dl.get([os.path.join(directory, f) for f in files], dataset=dataset)
+    kwargs: dict[str, Any] = {}
+    if names is not None:
+        kwargs['names'] = names
+    if files is not None:
+        kwargs['files'] = files
+    if postfix is not None:
+        kwargs['postfix'] = postfix
+    kwargs['plot_fit'] = False
+
+    t0 = input.extract_t0(directory,
+                            prefix,
+                            dtr_read,
+                            xmin,
+                            spatial_extent,
+                            fit_range=fit_range,
+                            c=0.3,
+                            **kwargs
+                            )
+    par_list= []
+    for k in ["integrator", "eps", "ntot", "dnms"]:
+        par_list.append(str(param[k]))
+    pars = "/".join(par_list)
+    t0_dict: dict[str, Any] = {}
+    t0_dict[param["type"]] = {}
+    t0_dict[param["type"]][pars] = t0
+    return t0_dict
+
+
+def extract_t1(path: str, project: str, dir_in_project: str, param: dict[str, Any], prefix: str, dtr_read: int, xmin: int, spatial_extent: int, fit_range: int = 5, postfix: str = None, names: list[str]=None, files: list[str]=None) -> dict[str, Any]:
+    directory = os.path.join(path, "projects", project, dir_in_project)
+    if files is None:
+        files = []
+        for root, ds, fs in os.walk(directory):
+            for f in fs:
+                if fnmatch.fnmatch(f, prefix + "*" + postfix + ".dat"):
+                    files.append(f)
+    kwargs: dict[str, Any] = {}
+    if names is not None:
+        kwargs['names'] = names
+    if files is not None:
+        kwargs['files'] = files
+    if postfix is not None:
+        kwargs['postfix'] = postfix
+    kwargs['plot_fit'] = False
+    t0 = input.extract_t0(directory,
+                            prefix,
+                            dtr_read,
+                            xmin,
+                            spatial_extent,
+                            fit_range=fit_range,
+                            c=2./3,
+                            **kwargs
+                            )
+    par_list= []
+    for k in ["integrator", "eps", "ntot", "dnms"]:
+        par_list.append(str(param[k]))
+    pars = "/".join(par_list)
+    t0_dict: dict[str, Any] = {}
+    t0_dict[param["type"]] = {}
+    t0_dict[param["type"]][pars] = t0
+    return t0_dict

corrlib/input/sfcf.py

@@ -232,7 +232,6 @@ def get_specs(key, parameters, sep='/') -> str:
         param = _map_params(parameters, key_parts[1:-1])
     else:
         param = _map_params(parameters, key_parts[1:])
-    print(param)
     s = json.dumps(param)
     return s
 
@@ -305,8 +304,7 @@ def read_data(path, project, dir_in_project, prefix, param, version='1.0c', cfg_
                                                      range(len(param['wf_basis'])), range(len(param['wf_basis'])), version, cfg_seperator, keyed_out=True)
         for key in data_crr.keys():
             data[key] = data_crr[key]
-        # print("Read data:", data_crr)
+
-        # print(f"Read data: pe.input.sfcf.read_sfcf_multi({directory}, {prefix}, {param['crr']}, {param['mrr']}, {corr_type_list}, {range(len(param['wf_offsets']))}, {range(len(param['wf_basis']))}, {range(len(param['wf_basis']))}, {version}, {cfg_seperator}, keyed_out=True, names={names})")
     if not param['crs'] == []:
         data_crs = pe.input.sfcf.read_sfcf_multi(directory, param['crs'])
         for key in data_crs.keys():

corrlib/meas_io.py

@@ -9,7 +9,7 @@ from pyerrors import Obs, Corr
 from hashlib import sha256
 
 
-def write_measurement(path, ensemble, measurement, uuid, code, parameter_file):
+def write_measurement(path, ensemble, measurement, uuid, code, parameter_file=None):
     """
     Write a measurement to the backlog.
     If the file for the measurement already exists, update the measurement.
@@ -49,17 +49,33 @@ def write_measurement(path, ensemble, measurement, uuid, code, parameter_file):
                 pars[subkey] = sfcf.get_specs(corr + "/" + subkey, parameters)
 
         elif code == "openQCD":
-            parameters = openQCD.read_param(path, uuid, parameter_file)
+            ms_type = list(measurement.keys())[0]
-            pars = {}
+            if ms_type == 'ms1':
-            subkeys = []
+                parameters = openQCD.read_ms1_param(path, uuid, parameter_file)
-            for i in range(len(parameters["rw_fcts"])):
+                pars = {}
-                par_list = []                
+                subkeys = []
-                for k in parameters["rw_fcts"][i].keys():
+                for i in range(len(parameters["rw_fcts"])):
-                    par_list.append(str(parameters["rw_fcts"][i][k]))
+                    par_list = []                
+                    for k in parameters["rw_fcts"][i].keys():
+                        par_list.append(str(parameters["rw_fcts"][i][k]))
+                    subkey = "/".join(par_list)
+                    subkeys.append(subkey)
+                    pars[subkey] = json.dumps(parameters["rw_fcts"][i])
+            elif ms_type in ['t0', 't1']:
+                if parameter_file is not None:
+                    parameters = openQCD.read_ms3_param(path, uuid, parameter_file)
+                else:
+                    parameters = {}
+                    for rwp in ["integrator", "eps", "ntot", "dnms"]:
+                        parameters[rwp] = "Unknown"
+                pars = {}
+                subkeys = []
+                par_list= []
+                for k in ["integrator", "eps", "ntot", "dnms"]:
+                    par_list.append(str(parameters[k]))
                 subkey = "/".join(par_list)
-                subkeys.append(subkey)
+                subkeys = [subkey]
-                pars[subkey] = json.dumps(parameters["rw_fcts"][i])
+                pars[subkey] = json.dumps(parameters)
-        
         for subkey in subkeys:                
             parHash = sha256(str(pars[subkey]).encode('UTF-8')).hexdigest()
             meas_path = file_in_archive + "::" + parHash

corrlib/toml.py

@@ -36,7 +36,7 @@ def check_measurement_data(measurements: dict, code: str) -> None:
     if code == "sfcf":
         var_names = ["path", "ensemble", "param_file", "version", "prefix", "cfg_seperator", "names"]
     elif code == "openQCD":
-        var_names = ["path", "ensemble", "measurement", "prefix", "param_file"]
+        var_names = ["path", "ensemble", "measurement", "prefix"] # , "param_file"
     for mname, md in measurements.items():
         for var_name in var_names:
             if var_name not in md.keys():
@@ -92,11 +92,26 @@ def import_toml(path: str, file: str, copy_file: bool=True) -> None:
                                             version=md['version'], cfg_seperator=md['cfg_seperator'], sep='/')
             print(mname + " imported.")
         elif project['code'] == 'openQCD':
-            param = openQCD.read_param(path, uuid, md['param_file'])
+            if md['measurement'] == 'ms1':
-            param['type'] = md['measurement']
+                param = openQCD.read_ms1_param(path, uuid, md['param_file'])
-            measurement = openQCD.read_rwms(path, uuid, md['path'], param, md["prefix"], version=md["version"], names=md['names'], files=md['files'])
+                param['type'] = 'ms1'
+                measurement = openQCD.read_rwms(path, uuid, md['path'], param, md["prefix"], version=md["version"], names=md['names'], files=md['files'])
+            elif md['measurement'] == 't0':
+                if 'param_file' in md:
+                    param = openQCD.read_ms3_param(path, uuid, md['param_file'])
+                else:
+                    param = {}
+                    for rwp in ["integrator", "eps", "ntot", "dnms"]:
+                        param[rwp] = "Unknown"
+                param['type'] = 't0'
+                measurement = openQCD.extract_t0(path, uuid, md['path'], param, md["prefix"], md["dtr_read"], md["xmin"], md["spatial_extent"], fit_range=md.get('fit_range', 5), postfix=md.get('postfix', None), names=md.get('names', None))
+            elif md['measurement'] == 't1':
+                if 'param_file' in md:
+                    param = openQCD.read_ms3_param(path, uuid, md['param_file'])
+                param['type'] = 't1'
+                measurement = openQCD.extract_t1(path, uuid, md['path'], param, md["prefix"], md["dtr_read"], md["xmin"], md["spatial_extent"], fit_range=md.get('fit_range', 5), postfix=md.get('postfix', None), names=md.get('names', None))
 
-        write_measurement(path, ensemble, measurement, uuid, project['code'], md['param_file'])
+        write_measurement(path, ensemble, measurement, uuid, project['code'], (md['param_file'] if 'param_file' in md else None))
 
     if not os.path.exists(os.path.join(path, "toml_imports", uuid)):
         os.makedirs(os.path.join(path, "toml_imports", uuid))