def write_input_file(self, folder=None):
"""Save KSTR input data to file named filename.
:param folder: (Default value = None)
:type folder:
:returns: None
:rtype: None
"""
# Check data integrity before anything is written on disk or run
self.check_input_file()
if folder is None:
#sys.exit('Kstr.create_input_file: \'path\' has to be given!')
folder = "./"
else:
common.check_folders(folder)
fl = open(folder + '/{0}.kstr'.format(self.jobname_lat), "w")
fl.write(self.output(1))
fl.close()
if self.twocenter:
fl = open(folder + '/{0}.kstr'.format(self.jobname_lat2), "w")
fl.write(self.output(2))
fl.close()
# Re-initialize some of the input parameters
# to avoid situations, where an input parameter
# doesn't get updated correctly, because it already
# existed.
self.finalize()
return
def write_input_file(self, folder=None):
"""Writes input file to disk.
Save KFCD input data to file named filename.
:param folder: Folder where the data will be written (Default value = None)
:type folder: str
:returns: None
:rtype: None
"""
# Check data integrity before anything is written on disk or run
self.check_input_file()
if folder is None:
#sys.exit('Kfcd.create_input_file: \'folder\' has to be given!')
folder = './'
else:
common.check_folders(folder)
fl = open(
folder + '/{0}.{1}'.format(self.jobname, self.KFCD_file_type), "w")
fl.write(self.output())
fl.close()
return
def write_input_file(self, folder=None):
"""Save BMDL input data to file named by self.jobname_lat
:param folder: (Default value = None)
:type folder:
:returns:
:rtype:
"""
# Check data integrity before anything is written on disk or run
self.check_input_file()
if folder is None:
#sys.exit('Bmdl.write_input_file: \'folder\' has to be given!')
folder = "./"
else:
common.check_folders(folder)
fl = open(folder + '/{0}.bmdl'.format(self.jobname_lat), "w")
fl.write(self.output())
fl.close()
def write_input_file(self, folder=None):
"""Save SHAPE input data to file named filename
:param folder: directory to write (Default value = None)
:type folder:
:returns:
:rtype:
"""
# Check data integrity before anything is written on disk or run
self.check_input_file()
if folder is None:
#sys.exit('Shape.create_input_file: \'path\' has to be given!')
folder = "./"
else:
common.check_folders(folder)
fl = open(folder + '/{0}.shape'.format(self.jobname_lat), "w")
fl.write(self.output())
fl.close()
return
def write_structure_input_files(self, jobname_lat=None, lat=None, folder=None, **kwargs):
"""For a given lattice type, this function writes
the corresponding structure input files into a
given folder
:param jobname_lat: Name of the job
:type jobname_lat: str
:param lat: Name of the lattice
:type lat: str
:param folder: Name of the folder
:type folder: str
"""
# Mission critical parameters:
if folder is None:
folder = "./"
else:
common.check_folders(folder,folder+'/bmdl',folder+'/kstr',folder+'/shape')
#if lat is None:
# sys.exit('Latticeinputs.write_structure_input_files: \'lat\' has to be given!')
if jobname_lat is None:
sys.exit('Latticeinputs.write_structure_input_files: \'jobname_lat\' has to be given!')
#jobname_lat = lat
# Pass down necessary arguments:
self.set_values(jobname_lat=jobname_lat,latpath=folder)
# Pass down optional arguments:
self.set_values(**kwargs)
# Call the write functions of each subprogram
self.batch.write_input_file(folder=folder)
self.bmdl.write_input_file(folder=folder)
self.kstr.write_input_file(folder=folder)
self.shape.write_input_file(folder=folder)
return
def write_input_file(self, folder=None):
"""(self,str) ->(None)
Save BMDL input data to file named filename
:param folder: (Default value = None)
:type folder:
:returns:
:rtype:
"""
# Check data integrity before anything is written on disk or run
self.check_input_file()
if folder is None:
#sys.exit('Batch_emto.write_input_file: \'folder\' has to be given!')
folder = "./"
else:
common.check_folders(folder)
fl = open(folder + '/{0}.'.format(self.jobname) + self.queue_type, "w")
fl.write(self.output())
fl.close()
return
def write_input_file(self, folder=None):
"""(self,str) ->(None)
Save KGRN input data to file named filename
:param folder: (Default value = None)
:type folder:
:returns: None
:rtype:
"""
# Check data integrity before anything is written on disk or run
self.check_input_file()
if folder is None:
#sys.exit('Kgrn.create_input_file: \'folder\' has to be given!')
folder = './'
else:
common.check_folders(folder)
fl = open(
folder + '/{0}.{1}'.format(self.jobname, self.KGRN_file_type), "w")
fl.write(self.output())
fl.close()