Index

_

_calc (diffpy.cmistructure.bvsrestraint.BVSRestraint attribute)

_parameter_set (diffpy.cmistructure.bvsrestraint.BVSRestraint attribute) _usesymmetry (diffpy.cmistructure.srrealparset.SrRealParSet attribute)

A

add_bond_angle_parameter() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) add_bond_length_parameter() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) add_dihedral_angle_parameter() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method)

angle_units (diffpy.cmistructure.objcrystparset.ObjCrystCrystalParSet attribute) atoms (diffpy.cmistructure.diffpyparset.DiffpyStructureParSet attribute) (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet attribute)

B

BaseStructureParSet (class in diffpy.cmistructure.basestructureparset)

BVSRestraint (class in diffpy.cmistructure.bvsrestraint)

C

can_adapt() (diffpy.cmistructure.basestructureparset.BaseStructureParSet class method) (diffpy.cmistructure.cctbxparset.CCTBXCrystalParSet class method) (diffpy.cmistructure.diffpyparset.DiffpyStructureParSet class method) (diffpy.cmistructure.objcrystparset.ObjCrystCrystalParSet class method) (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet class method)

CCTBXCrystalParSet (class in diffpy.cmistructure.cctbxparset) CCTBXScattererParSet (class in diffpy.cmistructure.cctbxparset) CCTBXUnitCellParSet (class in diffpy.cmistructure.cctbxparset) constrain_as_space_group() (in module diffpy.cmistructure) (in module diffpy.cmistructure.sgconstraints)

D

diffpy.cmistructure module diffpy.cmistructure.basestructureparset module diffpy.cmistructure.bvsrestraint module diffpy.cmistructure.cctbxparset module

diffpy.cmistructure.diffpyparset module diffpy.cmistructure.objcrystparset module diffpy.cmistructure.sgconstraints module diffpy.cmistructure.srrealparset module DiffpyStructureParSet (class in diffpy.cmistructure.diffpyparset)

E

element (diffpy.cmistructure.cctbxparset.CCTBXScattererParSet property)

G

get_lattice() (diffpy.cmistructure.basestructureparset.BaseStructureParSet method) (diffpy.cmistructure.cctbxparset.CCTBXCrystalParSet method) (diffpy.cmistructure.diffpyparset.DiffpyStructureParSet method) (diffpy.cmistructure.objcrystparset.ObjCrystCrystalParSet method) (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method)

get_scatterers() (diffpy.cmistructure.basestructureparset.BaseStructureParSet method) (diffpy.cmistructure.cctbxparset.CCTBXCrystalParSet method) (diffpy.cmistructure.diffpyparset.DiffpyStructureParSet method) (diffpy.cmistructure.objcrystparset.ObjCrystCrystalParSet method) (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) get_space_group() (diffpy.cmistructure.cctbxparset.CCTBXCrystalParSet method)

L

lattice (diffpy.cmistructure.diffpyparset.DiffpyStructureParSet attribute)

license

M

making-a-structure-adapter migrating-from-srfit module diffpy.cmistructure diffpy.cmistructure.basestructureparset diffpy.cmistructure.bvsrestraint diffpy.cmistructure.cctbxparset diffpy.cmistructure.diffpyparset diffpy.cmistructure.objcrystparset diffpy.cmistructure.sgconstraints diffpy.cmistructure.srrealparset

N

name (diffpy.cmistructure.cctbxparset.CCTBXScattererParSet attribute) (diffpy.cmistructure.cctbxparset.CCTBXUnitCellParSet attribute)

O

ObjCrystCrystalParSet (class in diffpy.cmistructure.objcrystparset) ObjCrystMoleculeParSet (class in diffpy.cmistructure.objcrystparset)

occ (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet attribute) occupancy (diffpy.cmistructure.cctbxparset.CCTBXScattererParSet attribute)

P

parent (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet attribute)

penalty() (diffpy.cmistructure.bvsrestraint.BVSRestraint method)

R

release notes restrain_bond_angle() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) restrain_bond_angle_parameter() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) restrain_bond_length() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method)

restrain_bond_length_parameter() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) restrain_bvs() (diffpy.cmistructure.srrealparset.SrRealParSet method) restrain_dihedral_angle() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) restrain_dihedral_angle_parameter() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method)

S

scaled (diffpy.cmistructure.bvsrestraint.BVSRestraint attribute) scatterer (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet attribute) scatterers (diffpy.cmistructure.cctbxparset.CCTBXCrystalParSet attribute) (diffpy.cmistructure.objcrystparset.ObjCrystCrystalParSet attribute) sgpars (diffpy.cmistructure.objcrystparset.ObjCrystCrystalParSet attribute) (diffpy.cmistructure.objcrystparset.ObjCrystCrystalParSet property) sig (diffpy.cmistructure.bvsrestraint.BVSRestraint attribute)

SrRealParSet (class in diffpy.cmistructure.srrealparset) structure (diffpy.cmistructure.basestructureparset.BaseStructureParSet attribute) (diffpy.cmistructure.cctbxparset.CCTBXCrystalParSet attribute) (diffpy.cmistructure.diffpyparset.DiffpyStructureParSet attribute) (diffpy.cmistructure.objcrystparset.ObjCrystCrystalParSet attribute) (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet attribute) (diffpy.cmistructure.srrealparset.SrRealParSet attribute) structure_to_parameter_set() (in module diffpy.cmistructure)

U

Uiso (diffpy.cmistructure.cctbxparset.CCTBXScattererParSet attribute) unitcell (diffpy.cmistructure.cctbxparset.CCTBXCrystalParSet attribute) update() (diffpy.cmistructure.cctbxparset.CCTBXCrystalParSet method)

use_symmetry() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) (diffpy.cmistructure.srrealparset.SrRealParSet method) using_symmetry() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method) (diffpy.cmistructure.srrealparset.SrRealParSet method)

W

wrap_restraints() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method)

wrap_stretch_mode_parameters() (diffpy.cmistructure.objcrystparset.ObjCrystMoleculeParSet method)