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rotateBonds.h
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// ----------------------------------------------------
// $Maintainer: Marcel Schumann $
// $Authors: Jan Fuhrmann, Marcel Schumann $
// ----------------------------------------------------
#ifndef BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H
#define BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H
#include <BALL/KERNEL/system.h>
#include <BALL/KERNEL/atom.h>
#include <BALL/DATATYPE/hashSet.h>
#include <BALL/KERNEL/protein.h>
#include <BALL/DOCKING/COMMON/staticLigandFragment.h>
#include <vector>
namespace BALL
{
class RotateBond;
class BALL_EXPORT BALL_DEPRECATED RotateBonds
{
public:
RotateBonds(const vector<Bond*>* rotatable_bonds);
RotateBonds(const RotateBonds& rb);
RotateBonds& operator= (const RotateBonds& rb);
~RotateBonds();
void rotate(std::vector<double> vec);
int numberBonds();
private:
std::vector<RotateBond*> bonds_;
};
}
#endif /* BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H */
BALL_DEPRECATED
#define BALL_DEPRECATED
Definition COMMON/global.h:64
BALL_EXPORT
#define BALL_EXPORT
Definition COMMON/global.h:50
system.h
atom.h
BALL::RotateBond
Definition rotateBond.h:26
BALL::RotateBonds::RotateBonds
RotateBonds(const vector< Bond * > *rotatable_bonds)
BALL::RotateBonds::numberBonds
int numberBonds()
BALL::RotateBonds::~RotateBonds
~RotateBonds()
BALL::RotateBonds::rotate
void rotate(std::vector< double > vec)
BALL::RotateBonds::RotateBonds
RotateBonds(const RotateBonds &rb)
hashSet.h
BALL
Definition constants.h:13
protein.h
staticLigandFragment.h