Module: symmetry

Module: symmetry experiment/symmetry.py

Spacegroup symmetry related classes/routines.

Contains one class for each crystal system, one class for each point group, and classes for handling reflection sets (HKL only, no intensities).

The most-used objects from this module are the SpaceGroup() and CrystalSystem() functions and the DataSet() class.

Functions

CrystalSystem
SpaceGroup
tst
tstall

CrystalSystem

CrystalSystem ( s )

Select a suitable crystal system based on the given name

SpaceGroup

SpaceGroup ( pointgroup=None )

Select a suitable spacegroup for a point group.

pointgroup is a string representation of the point group, like -1 or 312.

Return value is an instance of the applicable space group class.

tst

tst ( sg )

Self test on the given point group

tstall

tstall ( always=0 )

Self test on all pointgroups or on the ones given on the command line

Classes

Cubic	Crystal system: cubic
Cubic23	Point group 23; Two third-octants
Cubic432	Point group 432; One third-octant
CubicM3	Point group m3; Two sixth-octants
CubicM3M	Point group m3m; One-sixth octant
Cubic_43m	Point group -43m; One third-octant
DataSet	A container class for a set of reflections associated to a cell.
Hexagonal	Crystal system: hexagonal
Hexagonal6	Point group 6; One sixth
Hexagonal622	Point group 622; One twelfth
Hexagonal6MM	Point group 6mm; One twelfth
Hexagonal6_M	Point group 6/m; One twelfth
Hexagonal6_MMM	Point group 6/mmm; One twentyfourth
Hexagonal_6	Point group -6; One sixth
Hexagonal_62M	Point group -62m; One twelfth
Hexagonal_6M2	Point group -6m2; One twelfth
Monoclinic	Crystal system: monoclinic
Monoclinic112_m	Point group 1 1 2/m; C unique; Quadrant
Monoclinic2	Point group 2; Half-sphere
Monoclinic2_m	Point group 2/m; Quadrant
Monoclinic2_m11	Point group 2/m 1 1; A unique; Quadrant
Monoclinic2a	Point group 2; A unique; Half-sphere
Monoclinic2c	Point group 2; C-unique; Half-sphere
MonoclinicA	Crystal system: monoclinic with A unique
MonoclinicC	Crystal system: monoclinic with C unique
MonoclinicM	Point group m; Half-sphere
MonoclinicMa	Point group m; A unique; Half-sphere
MonoclinicMc	Point group m; C unique; Half-sphere
Orthorhombic	Crystal system: orthorhombic
Orthorhombic222	Point group 222; Quadrant
Orthorhombic2MM	Point group 2mm; Quadrant
OrthorhombicM2M	Point group m2m; Quadrant
OrthorhombicMM2	Point group mm2; Quadrant
OrthorhombicMMM	Point group mmm; Octant
PointGroup	Top class for all point groups.
RedundantDataSet	A special kind of data set for redundant measurements.
Rhombohedric	Point group 3; Rhombohedric setting
Rhombohedric_3	Point group -3; Rhombohedric setting
Tetragonal	Crystal system: tetragonal
Tetragonal4	Point group 4; Quadrant
Tetragonal422	Point group 422; Octant
Tetragonal4_m	Point group 4/m; Octant
Tetragonal4_mmm	Point group 4/mmm; One-half octant
Tetragonal4mm	Point group 4mm; Two half-octants
Tetragonal_4	Point group -4; Quadrant
Tetragonal_42m	Point group -42m; One octant
Triclinic	Crystal system: triclinic
Triclinic1	Point group 1; Full sphere
Triclinic_1	Point group -1; Half sphere
Trigonal	Crystal system: trigonal in rhombohedral setting
Trigonal3	Point group 3; one third
Trigonal312	Point group 312; one sixth
Trigonal31m	Point group 31m; one sixth
Trigonal321	Point group 321; one sixth
Trigonal3m1	Point group 3m1; one sixth
TrigonalH	Crystal system: trigonal in hexagonal setting
Trigonal_3	Point group -3; Two twelfths
Trigonal_31m	Point group -31m; one twelfth
Trigonal_3m1	Point group -3m1; one twelfth

Table of Contents

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