rotateBonds.h

Go to the documentation of this file.

// ----------------------------------------------------
// $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 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 */