occ::crystal::SubgroupPath Struct Reference

A subgroup reached by descending one or more maximal-subgroup steps. More...

#include <subgroup.h>

Public Member Functions
bool	is_translationengleiche () const
	True if every step was translationengleiche (i.e. the lattice is kept)
size_t	depth () const
	The number of steps taken from the parent.

Public Attributes
int	subgroup {0}
	Space group number of the subgroup reached.
int	index {1}
	The total index, i.e. the product of the indices of each step.
Mat3	basis_transform {Mat3::Identity()}
	The composed basis change.
Vec3	origin_shift {Vec3::Zero()}
	The composed origin shift, in fractional coordinates of the parent cell.
std::vector< MaximalSubgroup >	steps
	The maximal-subgroup steps taken, from the parent down.

Detailed Description

A subgroup reached by descending one or more maximal-subgroup steps.

Non-maximal subgroups are reached by composing maximal relations along a path through the graph. The transformation and index of the composite are the composition of the steps taken.

Member Function Documentation

depth()

size_t occ::crystal::SubgroupPath::depth ( ) const

inline

The number of steps taken from the parent.

is_translationengleiche()

bool occ::crystal::SubgroupPath::is_translationengleiche

(

)

const

True if every step was translationengleiche (i.e. the lattice is kept)

Member Data Documentation

basis_transform

Mat3 occ::crystal::SubgroupPath::basis_transform {Mat3::Identity()}

The composed basis change.

index

int occ::crystal::SubgroupPath::index {1}

The total index, i.e. the product of the indices of each step.

origin_shift

Vec3 occ::crystal::SubgroupPath::origin_shift {Vec3::Zero()}

The composed origin shift, in fractional coordinates of the parent cell.

steps

std::vector<MaximalSubgroup> occ::crystal::SubgroupPath::steps

The maximal-subgroup steps taken, from the parent down.

subgroup

int occ::crystal::SubgroupPath::subgroup {0}

Space group number of the subgroup reached.

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

• /home/runner/work/occ/occ/include/occ/crystal/subgroup.h