receptor.h

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// ----------------------------------------------------
// $Maintainer: Marc Röttig $
// $Authors: Marc Röttig $
// ----------------------------------------------------

#ifndef BALL_DOCKING_COMMON_RECEPTOR_H
#define BALL_DOCKING_COMMON_RECEPTOR_H

#include <BALL/KERNEL/protein.h>
#include <BALL/KERNEL/PDBAtom.h>
#include <BALL/DATATYPE/hashSet.h>

#include <BALL/DOCKING/COMMON/conformation.h>
#include <BALL/DOCKING/COMMON/flexibleMolecule.h>
#include <BALL/DOCKING/COMMON/flexDefinition.h>

namespace BALL
{
  class BALL_EXPORT Receptor : public FlexibleMolecule
  {
    public:
      Receptor();
      Receptor(Protein* p);
      virtual ~Receptor();
      FlexDefinition getFlexDefinition(Position i);
      void setFlexDefinition(Position i, FlexDefinition& fd);
      vector<FlexDefinition> getFlexDefinitions();

      void addFlexConformation(Conformation* conf, FlexDefinition &fd);

      void addConformation(Conformation* conf);

    protected:
      vector<FlexDefinition> flexinfo_;
  };
}
#endif /* BALL_DOCKING_COMMON_RECEPTOR_H */