def spacegroup_number_operators(spacegroup):
"""From the spacegroup name (either the long or short version of the name)
compute the number of symmetry operators. This will use the CCP4 symmetry
library in "counting" mode."""
if spacegroup.isdigit():
spacegroup_number = int(spacegroup)
else:
# spacegroup was passed in as a name
spacegroup_number = Syminfo.spacegroup_name_to_number(spacegroup.upper())
return Syminfo.get_num_symops(spacegroup_number)
def spacegroup_number_operators(spacegroup):
'''From the spacegroup name (either the long or short version of the name)
compute the number of symmetry operators. This will use the CCP4 symmetry
library in "counting" mode.'''
# note slight (!) abuse of exception handling - however this works
# well as a way of seeing if the input is something which can
# be interpreted as a number
try:
spacegroup_number = int(spacegroup)
except:
# spacegroup was passed in as a name
spacegroup_number = Syminfo.spacegroup_name_to_number(
spacegroup.upper())
return Syminfo.get_num_symops(spacegroup_number)
def spacegroup_number_operators(spacegroup):
'''From the spacegroup name (either the long or short version of the name)
compute the number of symmetry operators. This will use the CCP4 symmetry
library in "counting" mode.'''
# note slight (!) abuse of exception handling - however this works
# well as a way of seeing if the input is something which can
# be interpreted as a number
try:
spacegroup_number = int(spacegroup)
except: # intentional
# spacegroup was passed in as a name
spacegroup_number = Syminfo.spacegroup_name_to_number(
spacegroup.upper())
return Syminfo.get_num_symops(spacegroup_number)
