GSAS-II Developer’s Documentation¶
- GSAS-II Main Module
- GSASIIobj: Data objects
- Constraints Tree Item
- Covariance Tree Item
- Phase Tree Items
- Rigid Body Objects
- Space Group Objects
- Atom Records
- Drawing Atom Records
- Powder Diffraction Tree Items
- Powder Reflection Data Structure
- Single Crystal Tree Items
- Single Crystal Reflection Data Structure
- Image Data Structure
- Parameter Dictionary
- Classes and routines
- GSAS-II Utility Modules
- GSASIIdata: Data for computations
- GSASIIpath: locations & updates
- GSASIIlog: Logging of “Actions”
- config.py: Configuration options
- GSASIIElem: functions for element types
- GSASIIlattice: Unit cells
- GSASIIspc: Space group module
- gltext: draw OpenGL text
- ElementTable: Periodic Table Data
- FormFactors: Scattering Data
- ImageCalibrants: Calibration Standards
- atmdata: Table of atomic data
- defaultIparms: Table of atomic data
- GSAS-II GUI Routines
- GSAS-II GUI Submodules
- GSASIIphsGUI: Phase GUI
- GSASIIddataGUI: Phase Diffraction Data GUI
- GSASIIElemGUI: GUI to select and delete element lists
- GSASIIconstrGUI: Constraint GUI routines
- GSASIIimgGUI: Image GUI
- GSASIIpwdGUI: Powder Pattern GUI routines
- GSASIIrestrGUI: Restraint GUI routines
- GSASIIexprGUI: Expression Handling
- GSAS-II Structure Submodules
- GSASIImapvars: Parameter constraints
- GSASIIimage: Image calc module
- GSASIImath: computation module
- GSASIIindex: Cell Indexing Module
- GSASIIplot: plotting routines
- GSASII powder calculation module
- GSAS-II Small Angle Scattering Submodules
- GSAS-II Scripts
- GSAS-II Export Modules
- Module G2export_examples: Examples
- Module G2export_csv: Spreadsheet export
- Module G2export_PDB: Macromolecular export
- Module G2export_image: 2D Image data export
- Module G2export_map: Map export
- Module G2export_shelx: Examples
- Module G2export_CIF: CIF Exports
- Module G2export_pwdr: Export powder input files
- GSAS-II Import Modules
Required packages¶
Note that GSAS-II requires the Python extension packages
- wxPython (http://wxpython.org/docs/api/),
- NumPy (http://docs.scipy.org/doc/numpy/reference/),
- SciPy (http://docs.scipy.org/doc/scipy/reference/),
- matplotlib (http://matplotlib.org/contents.html)
- PIL or Pillow (https://pillow.readthedocs.org) and
- PyOpenGL (http://pyopengl.sourceforge.net/documentation)
These packages are not distributed as part of the Python standard library and must be obtained separately (or in a bundled Python package such as the Enthought Python Distribution/Canopy or Continuum.io’s anaconda). The PyOpenGL package will be installed into Python by GSAS-II if not found, so it does not need to be included in the Python bundle, but the setuptools package (https://pythonhosted.org/setuptools/) is needed by GSAS-II to install PyOpenGL.
