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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()) )