BALL
1.4.1
|
#include <BALL/XRAY/crystalGenerator.h>
CrystalGenerator Class
Definition at line 42 of file crystalGenerator.h.
Definition at line 53 of file crystalGenerator.h.
Default Constructor. This methods creates a new CrystalGenerator object
BALL::CrystalGenerator::CrystalGenerator | ( | const CrystalGenerator & | cg | ) |
Copy Constructor. Creates a new CrystalGenerator object from another
cg | the CrystalGenerator to be copied from |
BALL::CrystalGenerator::CrystalGenerator | ( | System * | system | ) |
Detailed Constructor. This methods creates a new CrystalGenerator object from a given System
system | a pointer to an existing System |
Destructor.
bool BALL::CrystalGenerator::buildASU_ | ( | ) | [protected] |
bool BALL::CrystalGenerator::buildUnitCell_ | ( | ) | [protected] |
bool BALL::CrystalGenerator::correctASUPositions_ | ( | System * | raw_cell | ) | [protected] |
std::list<System*> BALL::CrystalGenerator::generatePacking | ( | Index | a_loweridx, |
Index | a_upperidx, | ||
Index | b_loweridx, | ||
Index | b_upperid, | ||
Index | c_loweridx, | ||
Index | c_upperid | ||
) |
std::list<System*> BALL::CrystalGenerator::generateSymMoleculesWithinDistance | ( | float | angstrom | ) |
System* BALL::CrystalGenerator::generateUnitCell | ( | Index | a, |
Index | b, | ||
Index | c | ||
) |
Box3 BALL::CrystalGenerator::getUnitCellBox | ( | Index | a, |
Index | b, | ||
Index | c | ||
) |
void BALL::CrystalGenerator::setCrystalInfo | ( | boost::shared_ptr< CrystalInfo > | ci_ptr | ) |
void BALL::CrystalGenerator::setSystem | ( | System * | system_ptr | ) |
System* BALL::CrystalGenerator::asu_ [protected] |
Definition at line 112 of file crystalGenerator.h.
Definition at line 107 of file crystalGenerator.h.
boost::shared_ptr<CrystalInfo> BALL::CrystalGenerator::ci_ptr_ [protected] |
Definition at line 114 of file crystalGenerator.h.
System* BALL::CrystalGenerator::system_ [protected] |
Definition at line 110 of file crystalGenerator.h.
Definition at line 108 of file crystalGenerator.h.
System* BALL::CrystalGenerator::unitcell_ [protected] |
Definition at line 113 of file crystalGenerator.h.