Esempio n. 1
0
def struToParameterSet(name, stru):
    """Creates a ParameterSet from an structure.

    This returns a ParameterSet adapted for the structure depending on its
    type.

    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")
Esempio n. 2
0
def struToParameterSet(name, stru):
    """Creates a ParameterSet from an structure.

    This returns a ParameterSet adapted for the structure depending on its
    type.

    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")