BALL 1.5.0
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BALL::Result::ResultData Class Reference

#include <BALL/DOCKING/COMMON/result.h>

Public Member Functions

 ResultData ()
 
 ResultData (int result_type)
 
void setReceptorConformationId (String id)
 
void setReceptorConformation (Conformation *conf)
 
bool hasReceptorConformationId () const
 
String getReceptorConformationId () const
 
void setLigandConformationId (String id)
 
void setLigandConformation (Conformation *conf)
 
String getLigandConformationId () const
 
bool hasLigandConformationId () const
 
void setScoringMethod (int method)
 
bool hasScoringMethod () const
 
int getScoringMethod () const
 
void setEnergy (double e)
 
double getEnergy () const
 
bool hasEnergy () const
 
bool check () const
 
void setConformation (Conformation *conf)
 
ConformationgetConformation ()
 

Detailed Description

Definition at line 37 of file result.h.

Constructor & Destructor Documentation

◆ ResultData() [1/2]

BALL::Result::ResultData::ResultData ( )

◆ ResultData() [2/2]

BALL::Result::ResultData::ResultData ( int result_type)

Member Function Documentation

◆ check()

bool BALL::Result::ResultData::check ( ) const

◆ getConformation()

Conformation * BALL::Result::ResultData::getConformation ( )

◆ getEnergy()

double BALL::Result::ResultData::getEnergy ( ) const

◆ getLigandConformationId()

String BALL::Result::ResultData::getLigandConformationId ( ) const

◆ getReceptorConformationId()

String BALL::Result::ResultData::getReceptorConformationId ( ) const

◆ getScoringMethod()

int BALL::Result::ResultData::getScoringMethod ( ) const

◆ hasEnergy()

bool BALL::Result::ResultData::hasEnergy ( ) const

◆ hasLigandConformationId()

bool BALL::Result::ResultData::hasLigandConformationId ( ) const

◆ hasReceptorConformationId()

bool BALL::Result::ResultData::hasReceptorConformationId ( ) const

◆ hasScoringMethod()

bool BALL::Result::ResultData::hasScoringMethod ( ) const

◆ setConformation()

void BALL::Result::ResultData::setConformation ( Conformation * conf)

◆ setEnergy()

void BALL::Result::ResultData::setEnergy ( double e)

◆ setLigandConformation()

void BALL::Result::ResultData::setLigandConformation ( Conformation * conf)

◆ setLigandConformationId()

void BALL::Result::ResultData::setLigandConformationId ( String id)

◆ setReceptorConformation()

void BALL::Result::ResultData::setReceptorConformation ( Conformation * conf)

◆ setReceptorConformationId()

void BALL::Result::ResultData::setReceptorConformationId ( String id)

◆ setScoringMethod()

void BALL::Result::ResultData::setScoringMethod ( int method)