Mantid
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Concrete space group generator that uses space group generators as given in ITA. More...
#include <SpaceGroupFactory.h>
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 |
Concrete space group generator that uses space group generators as given in ITA.
Definition at line 68 of file SpaceGroupFactory.h.
Mantid::Geometry::AlgorithmicSpaceGroupGenerator::AlgorithmicSpaceGroupGenerator | ( | size_t | number, |
const std::string & | hmSymbol, | ||
const std::string & | generatorInformation | ||
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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().
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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().
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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().