def get_symmetry_from_database(hall_number):
rotations = np.zeros((192, 3, 3), dtype='intc')
translations = np.zeros((192, 3), dtype='double')
num_sym = spg.symmetry_from_database(rotations, translations, hall_number)
if num_sym is None:
return None
else:
return {'rotations':
np.array(rotations[:num_sym], dtype='intc', order='C'),
'translations':
np.array(translations[:num_sym], dtype='double', order='C')}
def get_symmetry_from_database(hall_number):
rotations = np.zeros((192, 3, 3), dtype='intc')
translations = np.zeros((192, 3), dtype='double')
num_sym = spg.symmetry_from_database(rotations, translations, hall_number)
if num_sym is None:
return None
else:
return {'rotations':
np.array(rotations[:num_sym], dtype='intc', order='C'),
'translations':
np.array(translations[:num_sym], dtype='double', order='C')}
def get_symmetry_from_database(hall_number):
"""Return symmetry operations corresponding to a Hall symbol.
The Hall symbol is given by the serial number in between 1 and 530.
The symmetry operations are given by a dictionary whose keys are
'rotations' and 'translations'.
If it fails, None is returned.
"""
_set_no_error()
rotations = np.zeros((192, 3, 3), dtype='intc')
translations = np.zeros((192, 3), dtype='double')
num_sym = spg.symmetry_from_database(rotations, translations, hall_number)
_set_error_message()
if num_sym is None:
return None
else:
return {'rotations':
np.array(rotations[:num_sym], dtype='intc', order='C'),
'translations':
np.array(translations[:num_sym], dtype='double', order='C')}
def get_symmetry_from_database(hall_number):
"""Return symmetry operations corresponding to a Hall symbol.
The Hall symbol is given by the serial number in between 1 and 530.
The symmetry operations are given by a dictionary whose keys are
'rotations' and 'translations'.
If it fails, None is returned.
"""
_set_no_error()
rotations = np.zeros((192, 3, 3), dtype='intc')
translations = np.zeros((192, 3), dtype='double')
num_sym = spg.symmetry_from_database(rotations, translations, hall_number)
_set_error_message()
if num_sym is None:
return None
else:
return {'rotations':
np.array(rotations[:num_sym], dtype='intc', order='C'),
'translations':
np.array(translations[:num_sym], dtype='double', order='C')}