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added read_qtop_sector method outsourcing funtionality of former 'full' key

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jkuhl-uni 2022-01-03 11:20:25 +01:00
parent b55e410dcf
commit 01ada964b2
1 changed files with 66 additions and 41 deletions
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107
pyerrors/input/openQCD.py
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@ -8,6 +8,7 @@ import struct
import numpy as np # Thinly-wrapped numpy import numpy as np # Thinly-wrapped numpy
from ..obs import Obs from ..obs import Obs
from ..fits import fit_lin from ..fits import fit_lin
from . import utils
def read_rwms(path, prefix, version='2.0', names=None, **kwargs): def read_rwms(path, prefix, version='2.0', names=None, **kwargs):
@ -347,7 +348,7 @@ def _read_array_openQCD2(fp):
return {'d': d, 'n': n, 'size': size, 'arr': arr} return {'d': d, 'n': n, 'size': size, 'arr': arr}
def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs): def read_qtop(path, prefix,c, dtr_cnfg = 1, version = "1.2",**kwargs):
"""Read qtop format from given folder structure. """Read qtop format from given folder structure.
Parameters Parameters
@ -356,14 +357,12 @@ def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
path of the measurement files path of the measurement files
prefix: prefix:
prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat prefix of the measurement files, e.g. <prefix>_id0_r0.ms.dat
c: c: double
??? Smearing radius in units of the lattice extent, c = sqrt(8 t0) / L
dtr_cnfg: dtr_cnfg: int
??? (optional) parameter that specifies the number of trajectories between two configs.
target: int if it is not set, the distance between two measurements in the file is assumed to be
specifies the topological sector to be reweighted to (default 0) the distance between two configurations.
full: bool
if true read the charge instead of the reweighting factor.
version: str version: str
version string of the openQCD (sfqcd) version used to create the ensemble version string of the openQCD (sfqcd) version used to create the ensemble
steps: int steps: int
@ -373,7 +372,7 @@ def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
r_start: list r_start: list
offset of the first ensemble, making it easier to match later on with other Obs offset of the first ensemble, making it easier to match later on with other Obs
r_stop: list r_stop: list
last ensemble that needs to be read last configurations that need to be read (per replicum)
r_meas_start: list r_meas_start: list
offset of the first measured ensemble, if there is any offset of the first measured ensemble, if there is any
files: list files: list
@ -385,13 +384,10 @@ def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
#one could read L from the header in case of sfQCD #one could read L from the header in case of sfQCD
#c = 0.35 #c = 0.35
known_versions = ["1.0","1.2","1.4","1.6","2.0", "sfqcd"] known_versions = ["1.0","1.2","1.4","1.6","2.0", "sfqcd"]
version = "1.2"
if "version" in kwargs: if not version in known_versions:
version = kwargs.get("version") raise Exception("Unknown openQCD version.")
if not version in known_versions:
raise Exception("Unknown openQCD version.")
target = 0 target = 0
full = False
if "steps" in kwargs: if "steps" in kwargs:
steps = kwargs.get("steps") steps = kwargs.get("steps")
else: else:
@ -406,8 +402,6 @@ def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
raise Exception("This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'.") raise Exception("This version of openQCD needs you to provide the spatial length of the lattice as parameter 'L'.")
else: else:
L = kwargs.get("L") L = kwargs.get("L")
if kwargs.get('full'):
full = True
r_start = 1 r_start = 1
r_meas_start = 1 r_meas_start = 1
if "r_meas_start" in kwargs: if "r_meas_start" in kwargs:
@ -445,8 +439,6 @@ def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
dn = header[0] # step size in integration steps "dnms" dn = header[0] # step size in integration steps "dnms"
nn = header[1] # number of measurements, so "ntot"/dn nn = header[1] # number of measurements, so "ntot"/dn
tmax = header[2]# lattice T/a tmax = header[2]# lattice T/a
#hier fehlen die L/a Angaben im header von Simon
#also muss man L nur für den fall von Fabian setzen
if version == "sfqcd": if version == "sfqcd":
t = fp.read(12) t = fp.read(12)
Ls = struct.unpack('<iii', t) Ls = struct.unpack('<iii', t)
@ -472,20 +464,18 @@ def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
if(len(t) < 4): if(len(t) < 4):
break break
nc = struct.unpack('i',t)[0] nc = struct.unpack('i',t)[0]
#print(nc)
if(nc != i): if(nc != i):
print(nc) print(nc)
raise Exception('Config ' + str(i) + ' missing?') raise Exception('Config ' + str(i) + ' missing?')
else: else:
t = fp.read(8 * tmax * (nn + 1))#wegwerfen, Wsl t = fp.read(8 * tmax * (nn + 1))#Wsl
t = fp.read(8 * tmax * (nn + 1))#wegwerfen, Ysl t = fp.read(8 * tmax * (nn + 1))#Ysl
t = fp.read(8 * tmax * (nn + 1))#NICHT wegwerfen, das ist Qsl, das, was wirr wollen t = fp.read(8 * tmax * (nn + 1))#Qsl, which is asked for in this method
#unpack the array of Qtops, on each timeslice t=0,...,tmax-1 and the #unpack the array of Qtops, on each timeslice t=0,...,tmax-1 and the
#measurement number in = 0...nn (see README.qcd1) #measurement number in = 0...nn (see README.qcd1)
tmpd = struct.unpack('d' * tmax * (nn + 1), t) tmpd = struct.unpack('d' * tmax * (nn + 1), t)
Q.append(tmpd) Q.append(tmpd)
i += 1*steps i += 1*steps
#print(tmp)
#set step by reading all entries, then set stepsize, then check if everything is there #set step by reading all entries, then set stepsize, then check if everything is there
#make a dtr_config param, which is checked against difference... #make a dtr_config param, which is checked against difference...
#difference != step #difference != step
@ -512,16 +502,6 @@ def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
replica = len(files) replica = len(files)
tmp = []
for q in Q_round:
if full:
tmp.append(q)
else:
if int(q) == target:
tmp.append(1.0)
else:
tmp.append(0.0)
truncated_file = file[:-7] #as seen in previous examples, this could lead to some weird behaviour... maybe -7 fixes this. truncated_file = file[:-7] #as seen in previous examples, this could lead to some weird behaviour... maybe -7 fixes this.
print(truncated_file) print(truncated_file)
try: try:
@ -530,24 +510,69 @@ def read_qtop(path, prefix,c, dtr_cnfg = 1,**kwargs):
if not "names" in kwargs: if not "names" in kwargs:
raise Exception("Automatic recognition of replicum failed, please enter the key word 'names'.") raise Exception("Automatic recognition of replicum failed, please enter the key word 'names'.")
#print(truncated_file[idx:])
# this might be a quite fishy way to find out which replicum we are actually talking about... # this might be a quite fishy way to find out which replicum we are actually talking about...
if "r_start" in kwargs: if "r_start" in kwargs:
tmp = tmp[r_start[int(truncated_file[idx+1:])-1]:] Q_round = Q_round[r_start[int(truncated_file[idx+1:])-1]:]
if "r_stop" in kwargs: if "r_stop" in kwargs:
tmp = tmp[:r_stop[int(truncated_file[idx+1:])-1]] Q_round = Q_round[:r_stop[int(truncated_file[idx+1:])-1]]
if "ens_name" in kwargs: if "ens_name" in kwargs:
ens_name = kwargs.get("ens_name") ens_name = kwargs.get("ens_name")
else: else:
ens_name = truncated_file[:idx] ens_name = truncated_file[:idx]
#keyword "names" prevails over "ens_name" #keyword "names" prevails over "ens_name"
if not "names" in kwargs: if not "names" in kwargs:
rep_names.append(truncated_file[:idx] + '|' + truncated_file[idx:]) rep_names.append(ens_name + '|' + truncated_file[idx:])
else: else:
names = kwargs.get("names") names = kwargs.get("names")
rep_names = names rep_names = names
deltas.append(np.array(tmp)) deltas.append(np.array(Q_round))
result = Obs(deltas, rep_names) result = Obs(deltas, rep_names)
return result return result
def read_qtop_sector(target = 0, **kwargs):
"""target: int
specifies the topological sector to be reweighted to (default 0)
q_top: Obs
alternatively takes args of read_qtop method as kwargs
"""
if "q_top" in kwargs:
qtop = kwargs.get("q_top")
else:
if "path" in kwargs:
path = kwargs.get("path")
del kwargs["path"]
else:
raise Exception("If you are not providing q_top, please provide path")
if "prefix" in kwargs:
prefix = kwargs.get("prefix")
del kwargs["prefix"]
else:
raise Exception("If you are not providing q_top, please provide prefix")
if "c" in kwargs:
c = kwargs.get("c")
del kwargs["c"]
else:
raise Exception("If you are not providing q_top, please provide c")
if "version" in kwargs:
version = kwargs.get("version")
del kwargs["version"]
else:
version = "1.2"
if "dtr_cnfg" in kwargs:
dtr_cnfg = kwargs.get("dtr_cnfg")
del kwargs["dtr_cnfg"]
else:
dtr_cnfg = 1
qtop = read_qtop(path, prefix,c, dtr_cnfg = dtr_cnfg, version = version,**kwargs)
#unpack to original values, project onto target sector
names = qtop.names
print(names)
print(qtop.deltas.keys())
proj_qtop = []
for n in qtop.deltas:
proj_qtop.append(np.array([1 if int(qtop.value+q) == target else 0 for q in qtop.deltas[n]]))
result = Obs(proj_qtop, qtop.names)
return result