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Minor windows fixes to quandary.py #50

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May 15, 2025
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Minor windows fixes to quandary.py #50

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60 changes: 29 additions & 31 deletions quandary.py
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Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
import os, copy
import os, os.path, copy
import numpy as np
from subprocess import run, PIPE, Popen, call
import matplotlib.pyplot as plt
Expand Down Expand Up @@ -502,12 +502,12 @@ def __dump(self, *, pcof0=[], runtype="simulation", datadir="./run_dir"):
# If given, write the target gate to file
if len(self.targetgate) > 0:
gate_vectorized = np.concatenate((np.real(self.targetgate).ravel(order='F'), np.imag(self.targetgate).ravel(order='F')))
self._gatefilename = "./targetgate.dat"
with open(datadir+"/"+self._gatefilename, "w") as f:
self._gatefilename = "targetgate.dat"
with open(os.path.join(datadir, self._gatefilename), "w", newline='\n') as f:
for value in gate_vectorized:
f.write("{:20.13e}\n".format(value))
if self.verbose:
print("Target gate written to ", datadir+"/"+self._gatefilename)
print("Target gate written to ", os.path.join(datadir, self._gatefilename))

# If given, write the target state to file
if len(self.targetstate) > 0:
Expand All @@ -516,12 +516,12 @@ def __dump(self, *, pcof0=[], runtype="simulation", datadir="./run_dir"):
else:
state = self.targetstate
vectorized = np.concatenate((np.real(state).ravel(order='F'), np.imag(state).ravel(order='F')))
self._gatefilename = "./targetstate.dat"
with open(datadir+"/"+self._gatefilename, "w") as f:
self._gatefilename = "targetstate.dat"
with open(os.path.join(datadir, self._gatefilename), "w", newline='\n') as f:
for value in vectorized:
f.write("{:20.13e}\n".format(value))
if self.verbose:
print("Target state written to ", datadir+"/"+self._gatefilename)
print("Target state written to ", os.path.join(datadir, self._gatefilename))

# If given, write the initial state to file
if self.initialcondition[0:4]=="file":
Expand All @@ -530,19 +530,19 @@ def __dump(self, *, pcof0=[], runtype="simulation", datadir="./run_dir"):
else:
state = self._initialstate
vectorized = np.concatenate((np.real(state).ravel(order='F'), np.imag(state).ravel(order='F')))
self._initstatefilename = "./initialstate.dat"
with open(datadir+"/"+self._initstatefilename, "w") as f:
self._initstatefilename = "initialstate.dat"
with open(os.path.join(datadir, self._initstatefilename), "w", newline='\n') as f:
for value in vectorized:
f.write("{:20.13e}\n".format(value))
if self.verbose:
print("Initial state written to ", datadir+"/"+self._initstatefilename)
print("Initial state written to ", os.path.join(datadir, self._initstatefilename))


# If not standard Hamiltonian model, write provided Hamiltonians to a file
if not self.standardmodel:
# Write non-standard Hamiltonians to file
self._hamiltonian_filename= "./hamiltonian.dat"
with open(datadir+"/" + self._hamiltonian_filename, "w") as f:
self._hamiltonian_filename= "hamiltonian.dat"
with open(os.path.join(datadir, self._hamiltonian_filename), "w", newline='\n') as f:
f.write("# Hsys \n")
Hsyslist = list(np.array(self.Hsys).flatten(order='F'))
for value in Hsyslist:
Expand All @@ -552,20 +552,20 @@ def __dump(self, *, pcof0=[], runtype="simulation", datadir="./run_dir"):
for iosc in range(len(self.Ne)):
# Real part, if given
if len(self.Hc_re)>iosc and len(self.Hc_re[iosc])>0:
with open(datadir+"/" + self._hamiltonian_filename, "a") as f:
with open(os.path.join(datadir, self._hamiltonian_filename), "a", newline='\n') as f:
Hcrelist = list(np.array(self.Hc_re[iosc]).flatten(order='F'))
f.write("# Oscillator {:d} Hc_real \n".format(iosc))
for value in Hcrelist:
f.write("{:20.13e}\n".format(value))
# Imaginary part, if given
if len(self.Hc_im)>iosc and len(self.Hc_im[iosc])>0:
with open(datadir+"/" + self._hamiltonian_filename, "a") as f:
with open(os.path.join(datadir, self._hamiltonian_filename), "a", newline='\n') as f:
Hcimlist = list(np.array(self.Hc_im[iosc]).flatten(order='F'))
f.write("# Oscillator {:d} Hc_imag \n".format(iosc))
for value in Hcimlist:
f.write("{:20.13e}\n".format(value))
if self.verbose:
print("Hamiltonian operators written to ", datadir+"/"+self._hamiltonian_filename)
print("Hamiltonian operators written to ", os.path.join(datadir, self._hamiltonian_filename))

# Initializing the control parameter vector 'pcof0'
# 1. If the initial parameter vector (list) is given with the 'pcof0' argument, the list will be dumped to a file with name self.pcof0_filename := "pcof0.dat".
Expand All @@ -578,12 +578,12 @@ def __dump(self, *, pcof0=[], runtype="simulation", datadir="./run_dir"):
if len(pcof0) > 0: # pcof0 is an argument to __dump(), while self.pcof0 is stored in the object
writeme = pcof0
if len(writeme)>0:
self.pcof0_filename = "./pcof0.dat"
with open(datadir+"/"+self.pcof0_filename, "w") as f:
self.pcof0_filename = "pcof0.dat"
with open(os.path.join(datadir, self.pcof0_filename), "w", newline='\n') as f:
for value in writeme:
f.write("{:20.13e}\n".format(value))
if self.verbose:
print("Initial control parameters written to ", datadir+"/"+self.pcof0_filename)
print("Initial control parameters written to ", os.path.join(datadir, self.pcof0_filename))
read_pcof0_from_file = True
elif len(self.pcof0_filename) > 0:
print("Using the provided filename '", self.pcof0_filename, "' in the control_initialization command")
Expand Down Expand Up @@ -698,8 +698,8 @@ def __dump(self, *, pcof0=[], runtype="simulation", datadir="./run_dir"):
mystring += "rand_seed = "+str(int(self.rand_seed))+ "\n"

# Write the file
outpath = datadir+"/config.cfg"
with open(outpath, "w") as file:
outpath = os.path.join(datadir, "config.cfg")
with open(outpath, "w", newline='\n') as file:
file.write(mystring)

if self.verbose:
Expand All @@ -726,10 +726,8 @@ def get_results(self, *, datadir="./", ignore_failure=False):
population : Evolution of the population of each oscillator, of each initial condition. (expectedEnergy[oscillator][initialcondition])
"""

dataout_dir = datadir + "/"

# Get control parameters
filename = dataout_dir + "/params.dat"
filename = os.path.join(datadir, "params.dat")
try:
pcof = np.loadtxt(filename).astype(float)
except:
Expand All @@ -738,7 +736,7 @@ def get_results(self, *, datadir="./", ignore_failure=False):
pcof=[]

# Get optimization history information
filename = dataout_dir + "/optim_history.dat"
filename = os.path.join(datadir, "optim_history.dat")
try:
optim_hist_tmp = np.loadtxt(filename)
except:
Expand Down Expand Up @@ -774,7 +772,7 @@ def get_results(self, *, datadir="./", ignore_failure=False):
for iosc in range(len(self.Ne)):
for iinit in range(ninits):
iid = iinit if not self._lindblad_solver else iinit*ninits + iinit
filename = dataout_dir + "./expected"+str(iosc)+".iinit"+str(iid).zfill(4)+".dat"
filename = os.path.join(datadir, f"expected{iosc}.iinit{str(iid).zfill(4)}.dat")
try:
x = np.loadtxt(filename)
expectedEnergy[iosc].append(x[:,1]) # 0th column is time, second column is expected energy
Expand All @@ -787,7 +785,7 @@ def get_results(self, *, datadir="./", ignore_failure=False):
for iosc in range(len(self.Ne)):
for iinit in range(ninits):
iid = iinit if not self._lindblad_solver else iinit*ninits + iinit
filename = dataout_dir + "./population"+str(iosc)+".iinit"+str(iid).zfill(4)+".dat"
filename = os.path.join(datadir, f"population{iosc}.iinit{str(iid).zfill(4)}.dat")
try:
x = np.loadtxt(filename)
population[iosc].append(x[:,1:].transpose()) # first column is time
Expand All @@ -802,17 +800,17 @@ def get_results(self, *, datadir="./", ignore_failure=False):
for iinit in range(self._ninit):
file_index = str(iinit).zfill(4)
try:
xre = np.loadtxt(f"{dataout_dir}/rho_Re.iinit{file_index}.dat", skiprows=1, usecols=range(1, ndim+1))[-1]
xre = np.loadtxt(os.path.join(datadir, f"rho_Re.iinit{file_index}.dat"), skiprows=1, usecols=range(1, ndim+1))[-1]
uT[:, iinit] = xre
except:
name = dataout_dir+"/rho_Re.iinit"+str(file_index)+".dat"
name = os.path.join(datadir, f"rho_Re.iinit{file_index}.dat")
if not ignore_failure:
print("Can't read from ", name)
try:
xim = np.loadtxt(f"{dataout_dir}/rho_Im.iinit{file_index}.dat", skiprows=1, usecols=range(1, ndim+1))[-1]
xim = np.loadtxt(os.path.join(datadir, f"rho_Im.iinit{file_index}.dat"), skiprows=1, usecols=range(1, ndim+1))[-1]
uT[:, iinit] += 1j * xim
except:
name = dataout_dir+"/rho_Im.iinit"+str(file_index)+".dat"
name = os.path.join(datadir, f"rho_Im.iinit{file_index}.dat")
if not ignore_failure:
print("Can't read from ", name)
# uT[:, iinit] = xre + 1j * xim
Expand All @@ -823,7 +821,7 @@ def get_results(self, *, datadir="./", ignore_failure=False):
ft = []
for iosc in range(len(self.Ne)):
# Read the control pulse file
filename = dataout_dir + "./control"+str(iosc)+".dat"
filename = os.path.join(datadir, f"control{iosc}.dat")
try:
x = np.loadtxt(filename)
except:
Expand Down