Mantid::Geometry::GroupTransformation Class Reference

GroupTransformation. More...

#include <GroupTransformation.h>

Public Member Functions
GroupTransformation	getInverse () const
	Returns the inverse transformation. More...
	GroupTransformation (const MatrixVectorPair< double, V3R > &operation)
	Constructor using MatrixVectorPair. More...
	GroupTransformation (const std::string &operationString)
	Constructor that parses a string to construct a MatrixVectorPair. More...
Group	operator() (const Group &other) const
	Transforms the supplied group and returns the result. More...
virtual	~GroupTransformation ()=default

Private Member Functions
void	setInverseFromPair ()
SymmetryOperation	transformOperation (const SymmetryOperation &operation) const
	Transforms the operation using the internally stored SymmetryOperation. More...

Private Attributes
MatrixVectorPair< double, V3R >	m_inversePair
MatrixVectorPair< double, V3R >	m_matrixVectorPair

Detailed Description

GroupTransformation.

This class transforms Group-objects, using a SymmetryOperation. It can be used to transform a point- or space group into a different setting.

The following example shows how to transform the Group P 1 2/m 1 to P 1 1 2/m, with unique c-axis:

SpaceGroup_const_sptr sg = SpaceGroupFactory::Instance().createSpaceGroup("P 1 2/m 1");

Group transformed = GroupTransformation("y,z,x")(*sg);

Using the getInverse-method, the transformation can be reversed.

@author Michael Wedel, ESS
@date 01/11/2015

Definition at line 34 of file GroupTransformation.h.

Constructor & Destructor Documentation

GroupTransformation() [1/2]

Mantid::Geometry::GroupTransformation::GroupTransformation

(

const MatrixVectorPair< double, V3R > &

operation

)

Constructor using MatrixVectorPair.

Definition at line 18 of file GroupTransformation.cpp.

References setInverseFromPair().

GroupTransformation() [2/2]

Mantid::Geometry::GroupTransformation::GroupTransformation

(

const std::string &

operationString

)

Constructor that parses a string to construct a MatrixVectorPair.

Definition at line 24 of file GroupTransformation.cpp.

~GroupTransformation()

virtual Mantid::Geometry::GroupTransformation::~GroupTransformation ( )

virtualdefault

Member Function Documentation

getInverse()

GroupTransformation Mantid::Geometry::GroupTransformation::getInverse

(

)

const

Returns the inverse transformation.

Definition at line 43 of file GroupTransformation.cpp.

References m_matrixVectorPair.

operator()()

Group Mantid::Geometry::GroupTransformation::operator()

(

const Group &

other

)

const

Transforms the supplied group and returns the result.

Definition at line 28 of file GroupTransformation.cpp.

References transformOperation().

setInverseFromPair()

void Mantid::Geometry::GroupTransformation::setInverseFromPair ( )

private

Definition at line 68 of file GroupTransformation.cpp.

References m_inversePair, and m_matrixVectorPair.

Referenced by GroupTransformation().

transformOperation()

SymmetryOperation Mantid::Geometry::GroupTransformation::transformOperation ( const SymmetryOperation &  operation ) const

private

Transforms the operation using the internally stored SymmetryOperation.

This method returns the transformed symmetry operation, using the following relation:

S' = O^-1 * S * O

Where O is the internally stored operation.

Parameters

operation

:: SymmetryOperation to transform.

Returns

Transformed symmetry operation.

Definition at line 60 of file GroupTransformation.cpp.

References Mantid::Geometry::MatrixVectorPair< MatrixNumericType, VectorType >::getMatrix(), Mantid::Geometry::MatrixVectorPair< MatrixNumericType, VectorType >::getVector(), Mantid::Geometry::getWrappedVector(), m_inversePair, m_matrixVectorPair, Mantid::Geometry::SymmetryOperation::matrix(), and Mantid::Geometry::SymmetryOperation::vector().

Referenced by operator()().

Member Data Documentation

m_inversePair

MatrixVectorPair<double, V3R> Mantid::Geometry::GroupTransformation::m_inversePair

private

Definition at line 51 of file GroupTransformation.h.

Referenced by setInverseFromPair(), and transformOperation().

m_matrixVectorPair

MatrixVectorPair<double, V3R> Mantid::Geometry::GroupTransformation::m_matrixVectorPair

private

Definition at line 50 of file GroupTransformation.h.

Referenced by getInverse(), setInverseFromPair(), and transformOperation().

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

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