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Source code for dials.util.ioutil
from __future__ import absolute_import, division, print_function
[docs]def get_inverse_ub_matrix_from_xparm(handle):
"""Get the inverse_ub_matrix from an xparm file handle
Params:
handle The file handle
Returns:
The inverse_ub_matrix
"""
from scitbx import matrix
return matrix.sqr(
handle.unit_cell_a_axis + handle.unit_cell_b_axis + handle.unit_cell_c_axis
)
[docs]def get_ub_matrix_from_xparm(handle):
"""Get the ub_matrix from an xparm file handle
Params:
handle The file handle
Returns:
The ub_matrix
"""
return get_inverse_ub_matrix_from_xparm(handle).inverse()
[docs]def get_unit_cell_from_xparm(handle):
"""Get the unit_cell object from an xparm file handle
Params:
handle The file handle
Returns:
The unit cell object
"""
from cctbx import uctbx
return uctbx.unit_cell(parameters=handle.unit_cell)
[docs]def get_space_group_type_from_xparm(handle):
"""Get the space group tyoe object from an xparm file handle
Params:
handle The file handle
Returns:
The space group type object
"""
from cctbx import sgtbx
return sgtbx.space_group_type(
sgtbx.space_group(sgtbx.space_group_symbols(handle.space_group).hall())
)
