Mantid
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Public Member Functions | Protected Member Functions | List of all members
Mantid::Geometry::AlgorithmicSpaceGroupGenerator Class Reference

Concrete space group generator that uses space group generators as given in ITA. More...

#include <SpaceGroupFactory.h>

Inheritance diagram for Mantid::Geometry::AlgorithmicSpaceGroupGenerator:
Mantid::Geometry::AbstractSpaceGroupGenerator

Public Member Functions

 AlgorithmicSpaceGroupGenerator (size_t number, const std::string &hmSymbol, const std::string &generatorInformation)
 Constructor of AlgorithmicSpaceGroupGenerator which throws an std::runtime_error exception when the generatorInformation string cannot be interpreted as symmetry operations. More...
 
- Public Member Functions inherited from Mantid::Geometry::AbstractSpaceGroupGenerator
 AbstractSpaceGroupGenerator (size_t number, std::string hmSymbol, std::string generatorInformation)
 Constructor for AbstractSpaceGroupGenerator. More...
 
std::string getGeneratorString () const
 
std::string getHMSymbol () const
 
size_t getNumber () const
 
SpaceGroup_const_sptr getPrototype ()
 Returns the internally stored prototype, generates one if necessary. More...
 
virtual ~AbstractSpaceGroupGenerator ()=default
 

Protected Member Functions

Group_const_sptr generateGroup () const override
 Uses an algorithm based on Shmueli, U. More...
 
std::string getCenteringSymbol () const
 Returns the centering symbol, which is extracted from the Hermann-Mauguin-symbol. More...
 
virtual Group_const_sptr generateGroup () const =0
 

Detailed Description

Concrete space group generator that uses space group generators as given in ITA.

Definition at line 68 of file SpaceGroupFactory.h.

Constructor & Destructor Documentation

◆ AlgorithmicSpaceGroupGenerator()

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

Constructor of AlgorithmicSpaceGroupGenerator which throws an std::runtime_error exception when the generatorInformation string cannot be interpreted as symmetry operations.

Definition at line 117 of file SpaceGroupFactory.cpp.

References Mantid::Geometry::isValidGeneratorString().

Member Function Documentation

◆ generateGroup()

Group_const_sptr Mantid::Geometry::AlgorithmicSpaceGroupGenerator::generateGroup ( ) const
overrideprotectedvirtual

Uses an algorithm based on Shmueli, U.

Acta Crystallogr. A 40, 559–567 (1984) to generate the group.

Implements Mantid::Geometry::AbstractSpaceGroupGenerator.

Definition at line 127 of file SpaceGroupFactory.cpp.

References getCenteringSymbol(), and Mantid::Geometry::AbstractSpaceGroupGenerator::getGeneratorString().

◆ getCenteringSymbol()

std::string Mantid::Geometry::AlgorithmicSpaceGroupGenerator::getCenteringSymbol ( ) const
protected

Returns the centering symbol, which is extracted from the Hermann-Mauguin-symbol.

Definition at line 136 of file SpaceGroupFactory.cpp.

References Mantid::Geometry::AbstractSpaceGroupGenerator::getHMSymbol().

Referenced by generateGroup().


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