Module Hierarchy

diffpy.Structure: classes related to structure of materials...
- diffpy.Structure.Parsers: Conversion plugins for various structure formats The recognized structure formats are defined by subclassing StructureParser, by convention these classes are named P_<format>.
  - diffpy.Structure.Parsers.P_auto: Parser for automatic file format detection This Parser does not provide the the toLines() method.
  - diffpy.Structure.Parsers.P_bratoms: Parser for Bruce Ravel's Atoms structure format
  - diffpy.Structure.Parsers.P_cif: Parser for basic CIF file format...
  - diffpy.Structure.Parsers.P_discus: Parser for DISCUS structure format
  - diffpy.Structure.Parsers.P_pdb: Basic parser for PDB structure format.
  - diffpy.Structure.Parsers.P_pdffit: Parser for PDFfit structure format
  - diffpy.Structure.Parsers.P_rawxyz: Parser for raw XYZ file format.
  - diffpy.Structure.Parsers.P_xcfg: Parser for extended CFG format used by atomeye
  - diffpy.Structure.Parsers.P_xyz: Parser for XYZ file format, where...
  - diffpy.Structure.Parsers.parser_index_mod: Index of recognized structure formats, their IO capabilities and associated modules where they are defined.
  - diffpy.Structure.Parsers.structureparser: Definition of StructureParser, a base class for specific parsers.
- diffpy.Structure.SpaceGroups: Symmetry operations as functions on vectors or arrays.
- diffpy.Structure.StructureErrors: Exceptions used in Structure package.
- diffpy.Structure.SymmetryUtilities: Symmetry utility functions such as expansion of asymmetric unit, and generation of positional constraints.
- diffpy.Structure.atom: class Atom for storing properties of a single atom
- diffpy.Structure.bratomsstructure: definition of BRAtomsStructure class derived from Structure
- diffpy.Structure.expansion: Methods and classes for manipulating Structure instances.
  - diffpy.Structure.expansion.makeCuboctahedron: Make a spheroid nanoparticle from a template structure.
  - diffpy.Structure.expansion.makeEllipsoid: Make a spheroid nanoparticle from a template structure.
  - diffpy.Structure.expansion.shapeUtils: Utilities for making shapes.
  - diffpy.Structure.expansion.supercell_mod: This module contains functions for simple structure manipulation.
- diffpy.Structure.lattice: class Lattice stores properites and provides simple operations in lattice coordinate system.
- diffpy.Structure.pdffitstructure: definition of PDFFitStructure class derived from Structure
- diffpy.Structure.sgtbxspacegroups: Extra space group representations generated using sgtbx module from cctbx.
- diffpy.Structure.structure: This module defines class Structure.
- diffpy.Structure.utils: Small shared functions.
- diffpy.Structure.version: Definition of __version__ and __date__ for diffpy.Structure.