Mantid::Geometry::TransformationSpaceGroupGenerator Class Reference

Concrete generator that generates a space group from another space group using a transformation. More...

#include <SpaceGroupFactory.h>

Inheritance diagram for Mantid::Geometry::TransformationSpaceGroupGenerator:

Public Member Functions
	TransformationSpaceGroupGenerator (size_t number, const std::string &hmSymbol, const std::string &generatorInformation)
	Constructor of TransformationSpaceGroupGenerator that may throw an std::invalid_argument exception when the generatorInformation- argument can not be interpreted as (base group symbol | transformation).
Public Member Functions inherited from Mantid::Geometry::AbstractSpaceGroupGenerator
	AbstractSpaceGroupGenerator (size_t number, std::string hmSymbol, std::string generatorInformation)
	Constructor for AbstractSpaceGroupGenerator.
const std::string &	getGeneratorString () const
const std::string &	getHMSymbol () const
size_t	getNumber () const
SpaceGroup_const_sptr	getPrototype ()
	Returns the internally stored prototype, generates one if necessary.
virtual	~AbstractSpaceGroupGenerator ()=default

Protected Member Functions
Group_const_sptr	generateGroup () const override
	Generates a group from the SymmetryOperations obtained by applying the stored transformation to the base group.
virtual SpaceGroup_const_sptr	getBaseSpaceGroup () const
	This method is virtual for testing purposes so that using the actual SpaceGroupFactory can be circumvented in the unit tests.
void	setBaseAndTransformation (const std::string &generatorInformation)
	Method to extract base space group symbol and transformation.

Protected Attributes
std::string	m_baseGroupHMSymbol
std::string	m_transformation

Detailed Description

Concrete generator that generates a space group from another space group using a transformation.

Definition at line 79 of file SpaceGroupFactory.h.

Constructor & Destructor Documentation

TransformationSpaceGroupGenerator()

Mantid::Geometry::TransformationSpaceGroupGenerator::TransformationSpaceGroupGenerator	(	size_t	number,
		const std::string &	hmSymbol,
		const std::string &	generatorInformation
	)

Constructor of TransformationSpaceGroupGenerator that may throw an std::invalid_argument exception when the generatorInformation- argument can not be interpreted as (base group symbol | transformation).

Definition at line 140 of file SpaceGroupFactory.cpp.

References setBaseAndTransformation().

Member Function Documentation

generateGroup()

Group_const_sptr Mantid::Geometry::TransformationSpaceGroupGenerator::generateGroup ( ) const

overrideprotectedvirtual

Generates a group from the SymmetryOperations obtained by applying the stored transformation to the base group.

Implements Mantid::Geometry::AbstractSpaceGroupGenerator.

Definition at line 148 of file SpaceGroupFactory.cpp.

References getBaseSpaceGroup(), and m_transformation.

getBaseSpaceGroup()

SpaceGroup_const_sptr Mantid::Geometry::TransformationSpaceGroupGenerator::getBaseSpaceGroup ( ) const

protectedvirtual

This method is virtual for testing purposes so that using the actual SpaceGroupFactory can be circumvented in the unit tests.

Definition at line 158 of file SpaceGroupFactory.cpp.

References m_baseGroupHMSymbol.

Referenced by generateGroup().

setBaseAndTransformation()

void Mantid::Geometry::TransformationSpaceGroupGenerator::setBaseAndTransformation ( const std::string &  generatorInformation )

protected

Method to extract base space group symbol and transformation.

This method tries to extract the symbol of the base space group and the transformation matrix/vector pair from the supplied generator string. The expected format of the string is:

 Symbol of base space group | Specification of transformation

An example could be, to generate space group P 1 n 1 from P 1 c 1:

 P 1 c 1 | -x+z,y,-x

This works similarly for origin shifts and so on.

Parameters

generatorInformation

:: Generator string in the format (base group | transformation).

Definition at line 180 of file SpaceGroupFactory.cpp.

References m_baseGroupHMSymbol, and m_transformation.

Referenced by TransformationSpaceGroupGenerator().

Member Data Documentation

m_baseGroupHMSymbol

std::string Mantid::Geometry::TransformationSpaceGroupGenerator::m_baseGroupHMSymbol

protected

Definition at line 90 of file SpaceGroupFactory.h.

Referenced by getBaseSpaceGroup(), and setBaseAndTransformation().

m_transformation

std::string Mantid::Geometry::TransformationSpaceGroupGenerator::m_transformation

protected

Definition at line 91 of file SpaceGroupFactory.h.

Referenced by generateGroup(), and setBaseAndTransformation().

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The documentation for this class was generated from the following files:

• Framework/Geometry/inc/MantidGeometry/Crystal/SpaceGroupFactory.h
• Framework/Geometry/src/Crystal/SpaceGroupFactory.cpp