#!/usr/bin/env python
##############################################################################
#
# diffpy.srfit by DANSE Diffraction group
# Simon J. L. Billinge
# (c) 2009 The Trustees of Columbia University
# in the City of New York. All rights reserved.
#
# File coded by: Chris Farrow
#
# See AUTHORS.txt for a list of people who contributed.
# See LICENSE_DANSE.txt for license information.
#
##############################################################################
"""Modules and classes that adapt structure representations to the ParameterSet
interface and automatic structure constraint generation from space group
information."""
from diffpy.srfit.structure.sgconstraints import constrainAsSpaceGroup
[docs]
def struToParameterSet(name, stru):
"""Creates a ParameterSet from an structure.
This returns a ParameterSet adapted for the structure depending on its
type.
Attributes
----------
stru
a structure object known by this module
name
A name to give the structure.
Raises TypeError if stru cannot be adapted
"""
from diffpy.srfit.structure.diffpyparset import DiffpyStructureParSet
if DiffpyStructureParSet.canAdapt(stru):
return DiffpyStructureParSet(name, stru)
from diffpy.srfit.structure.objcrystparset import ObjCrystCrystalParSet
if ObjCrystCrystalParSet.canAdapt(stru):
return ObjCrystCrystalParSet(name, stru)
from diffpy.srfit.structure.objcrystparset import ObjCrystMoleculeParSet
if ObjCrystMoleculeParSet.canAdapt(stru):
return ObjCrystMoleculeParSet(name, stru)
from diffpy.srfit.structure.cctbxparset import CCTBXCrystalParSet
if CCTBXCrystalParSet.canAdapt(stru):
return CCTBXCrystalParSet(name, stru)
raise TypeError("Unadaptable structure format")
# silence pyflakes checker
assert constrainAsSpaceGroup
# End of file