#include <BALL/XRAY/crystalGenerator.h>
CrystalGenerator Class
Definition at line 40 of file crystalGenerator.h.
§ CellType
§ CrystalGenerator() [1/2]
BALL::CrystalGenerator::CrystalGenerator |
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§ CrystalGenerator() [2/2]
§ ~CrystalGenerator()
BALL::CrystalGenerator::~CrystalGenerator |
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§ buildASU_()
bool BALL::CrystalGenerator::buildASU_ |
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protected |
§ buildUnitCell_()
bool BALL::CrystalGenerator::buildUnitCell_ |
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protected |
§ correctASUPositions_()
bool BALL::CrystalGenerator::correctASUPositions_ |
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System * |
raw_cell | ) |
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protected |
§ generateAsymmetricUnit()
System* BALL::CrystalGenerator::generateAsymmetricUnit |
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§ generatePacking()
§ generateSymMoleculesWithinDistance()
std::list<System*> BALL::CrystalGenerator::generateSymMoleculesWithinDistance |
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float |
angstrom | ) |
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§ generateUnitCell() [1/2]
§ generateUnitCell() [2/2]
System* BALL::CrystalGenerator::generateUnitCell |
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§ getSpaceGroupFilename()
const String& BALL::CrystalGenerator::getSpaceGroupFilename |
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const |
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inline |
§ getUnitCellBox()
§ setCrystalInfo()
void BALL::CrystalGenerator::setCrystalInfo |
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boost::shared_ptr< CrystalInfo > |
ci_ptr | ) |
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§ setSpaceGroupFilename()
void BALL::CrystalGenerator::setSpaceGroupFilename |
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String & |
filename | ) |
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inline |
§ setSystem()
void BALL::CrystalGenerator::setSystem |
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System * |
system_ptr | ) |
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§ asu_
System* BALL::CrystalGenerator::asu_ |
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protected |
§ center_processor_
§ ci_ptr_
boost::shared_ptr<CrystalInfo> BALL::CrystalGenerator::ci_ptr_ |
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protected |
§ filename_
String BALL::CrystalGenerator::filename_ |
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protected |
§ system_
System* BALL::CrystalGenerator::system_ |
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protected |
§ transformer_
§ unitcell_
System* BALL::CrystalGenerator::unitcell_ |
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protected |