def choose_output_file(self):
"""
Opens a file dialog and sets the settings file text box to the chosen path.
"""
dirname = self.get_default_directory(self.get_output_file())
filename = getOpenFileName(self, "Choose Output File", dirname, self.nexus_filter)
if os.path.exists(dirname): # avoids problems if <Cancel> was selected
self.output_file.setText(filename)
self.set_default_directory(dirname)
def choose_file(self):
"""
Opens a file dialog and sets the file text box to the chosen path.
"""
dirname = self.get_default_directory(self.filename.text())
filename = getOpenFileName(self, 'Open File', dirname)
if os.path.exists(filename): # avoids problems if <Cancel> was selected
dirname = os.path.dirname(filename)
self.filename.setText(str(filename))
self.set_default_directory(dirname)
def choose_output_file(self):
"""
Opens a file dialog and sets the settings file text box to the chosen path.
"""
dirname = self.get_default_directory(self.get_output_file())
filename = getOpenFileName(self, 'Choose Output File', dirname,
self.nexus_filter)
if os.path.exists(dirname): # avoids problems if <Cancel> was selected
self.output_file.setText(filename)
self.set_default_directory(dirname)
def choose_file(self):
'''
Opens file dialog, set file text box to the chosen path
'''
dirname = self.get_default_directory(self.filename.text())
filename = getOpenFileName(self, 'Open file', dirname)
if os.path.exists(filename):
self.filename.setText(str(filename))
self.spec = SpecDataFile(self.get_filename())
self.set_default_directory(os.path.dirname(filename))
scan_min = self.spec.getMinScanNumber()
self.scanmin.setText(str(scan_min))
scan_max = self.spec.getMaxScanNumber()
self.scanmax.setText(str(scan_max))
def choose_file(self):
"""Opens file dialog, set file text box to the chosen path."""
from spec2nexus.spec import SpecDataFile
dirname = self.get_default_directory(self.filename.text())
filename = getOpenFileName(self, 'Open file', dirname)
if os.path.exists(filename):
self.filename.setText(str(filename))
self.spec = SpecDataFile(self.get_filename())
self.set_default_directory(os.path.dirname(filename))
all_scans = self.get_scan_numbers()
scan_min = all_scans[0]
self.scanmin.setText(str(scan_min))
scan_max = all_scans[-1]
self.scanmax.setText(str(scan_max))
def choose_file(self):
'''
Opens file dialog, set file text box to the chosen path
'''
from spec2nexus.spec import SpecDataFile
dirname = self.get_default_directory(self.filename.text())
filename = getOpenFileName(self, 'Open file', dirname)
if os.path.exists(filename):
self.filename.setText(str(filename))
self.spec = SpecDataFile(self.get_filename())
self.set_default_directory(os.path.dirname(filename))
all_scans = self.get_scan_numbers()
scan_min = all_scans[0]
self.scanmin.setText(str(scan_min))
scan_max = all_scans[-1]
self.scanmax.setText(str(scan_max))
def choose_file(self):
'''
Opens file dialog, set file text box to the chosen path
'''
from spec2nexus.spec import SpecDataFile
dirname = self.get_default_directory(self.filename.text())
filename = getOpenFileName(self, 'Open file', dirname)
if os.path.exists(filename):
self.filename.setText(str(filename))
self.spec = SpecDataFile(self.get_filename())
self.set_default_directory(os.path.dirname(filename))
scan_min = self.spec.getMinScanNumber()
self.scanmin.setText(str(scan_min))
scan_max = self.spec.getMaxScanNumber()
self.scanmax.setText(str(scan_max))
def import_cif(self):
filename = getOpenFileName(self, 'Open CIF File')
if os.path.exists(filename):
cif_info = cif.reader(file_path=filename).model()
for c in cif_info:
s = cif_info[c]
if '_cell_length_a' in s:
break
def value(text):
if '(' in text:
return float(text[:text.index('(')])
else:
return float(text)
if self.import_checkbox.isChecked():
self.refine.a = value(s['_cell_length_a'])
self.refine.b = value(s['_cell_length_b'])
self.refine.c = value(s['_cell_length_c'])
self.refine.alpha = value(s['_cell_angle_alpha'])
self.refine.beta = value(s['_cell_angle_beta'])
self.refine.gamma = value(s['_cell_angle_gamma'])
if '_space_group_IT_number' in s:
sgi = sgtbx.space_group_info(s['_space_group_IT_number'])
elif '_symmetry_Int_Tables_number' in s:
sgi = sgtbx.space_group_info(s['_symmetry_Int_Tables_number'])
elif '_space_group_name_H-M_alt' in s:
sgi = sgtbx.space_group_info(s['_space_group_name_H-M_alt'])
elif '_symmetry_space_group_name_H-M' in s:
sgi = sgtbx.space_group_info(
s['_symmetry_space_group_name_H-M'])
elif '_space_group_name_Hall' in s:
sgi = sgtbx.space_group_info('hall: ' +
s['_space_group_name_Hall'])
elif '_symmetry_space_group_name_Hall' in s:
sgi = sgtbx.space_group_info(
'hall: ' + s['_symmetry_space_group_name_Hall'])
else:
sgi = None
if sgi:
self.refine.space_group = sgi.type().lookup_symbol()
self.refine.symmetry = sgi.group().crystal_system().lower()
self.refine.laue_group = sgi.group().laue_group_type()
self.refine.centring = self.refine.space_group[0]
self.update_parameters()
def choose_file(self):
"""
Opens a file dialog and sets the file text box to the chosen path.
"""
dirname = self.get_default_directory(self.filename.text())
filename = getOpenFileName(self, 'Open File', dirname)
if os.path.exists(filename):
dirname = os.path.dirname(filename)
self.filename.setText(str(filename))
self.set_default_directory(dirname)
root, ext = os.path.splitext(filename)
if ext == '.nxspe':
self.file_type = 'NXSPE'
spe_file = nxload(filename)
try:
energy = spe_file.NXentry[0].NXcollection[0].fixed_energy
self.energy_box.setText(str(energy))
except Exception:
pass
else:
self.file_type = 'SPE'
