SymmetryGroup

Overview

This class represents the symmetry operations associated with a crystallographic point group. Essentially, it is an interface to a list of quaternion symmetry operations. These operations have been hardcoded and verified using an automated unit test.

Parameters

Parameter	Object type	Description	Default
sclass	string	Point group in Hermann-Mauguin notation	No

Class description

class SymmetryGroup : public neml::NEMLObject

Public Functions

SymmetryGroup(ParameterSet &params)

Initialize with the Hermann-Mauguin notation as a string.

const std::vector<Orientation> &ops() const

Quaternion symmetry operators.

size_t nops() const

Number of symmetry operators.

Orientation misorientation(const Orientation &a, const Orientation &b) const

Find the minimum misorientation transformation between a and b.

std::vector<Orientation> misorientation_block(const std::vector<Orientation> &A, const std::vector<Orientation> &B)

Find the disorientation in a blocked way that trades memory for cpu.

Public Static Functions

static std::string type()

String type for the object system.

static std::unique_ptr<NEMLObject> initialize(ParameterSet &params)

Initialize from parameter set.

static ParameterSet parameters()

Default parameters.