#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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◆ 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]
System * BALL::CrystalGenerator::generateUnitCell |
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◆ generateUnitCell() [2/2]
◆ 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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◆ system_
System* BALL::CrystalGenerator::system_ |
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protected |
◆ transformer_
◆ unitcell_
System* BALL::CrystalGenerator::unitcell_ |
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protected |