qpms_pointgroup_t Struct Reference

Full characterisation of a 3D point group. More...

#include <qpms_types.h>

Collaboration diagram for qpms_pointgroup_t:

Data Fields
qpms_pointgroup_class	c
	Point group classification.
qpms_gmi_t	n
qpms_irot3_t	orientation
	Transformation between this point group and the "canonical" point group of the same type. More...

Detailed Description

Full characterisation of a 3D point group.

Field Documentation

n

qpms_gmi_t qpms_pointgroup_t::n

Order of the rotational subgroup \( \mathrm{C_n} \) of finite axial groups.

orientation

qpms_irot3_t qpms_pointgroup_t::orientation

Transformation between this point group and the "canonical" point group of the same type.

Each 3D point group of a given type (specified by the c and n members) has its isomorphous "canonical instance", typically with the main rotation axis identical to the z cartesian axis and a mirror plane (if applicable) orthogonal to the x cartesian axis.

If \( o \) is a transformation specified by orientation, then an element \( g \) of this group can be written as

\[ g = o g_\mathrm{can.} o^{-1} \]

where \( g_\mathrm{can.} \) is a corresponding element from the canonical instance.

CHECKME \( o \) transforms the cartesian z axis to the main rotation axis of this group (if applicable).

TODO more detailed specification about the canonical instances and in which direction orientation goes.

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The documentation for this struct was generated from the following file:

• qpms/qpms_types.h