flexDefinition.h

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// ----------------------------------------------------
// $Maintainer: Marc Röttig $
// $Authors: Marc Röttig $
// ----------------------------------------------------
 
#ifndef BALL_DOCKING_COMMON_FLEXDEFINITION_H
#define BALL_DOCKING_COMMON_FLEXDEFINITION_H
 
#include <BALL/KERNEL/protein.h>
 
namespace BALL
{
    class BALL_EXPORT FlexDefinition
    {
      public:
 
        enum RotamerLibrary
        {
          DUNBRACK = 0,
          LOVELL
        };

        static FlexDefinition Rigid();
 
        BALL_CREATE(FlexDefinition)
 
        
        FlexDefinition();

        virtual ~FlexDefinition();

        void addFullyFlexibleResidue(Position idx);

        vector<Position> getFullyFlexibleResidues() const;

        void addRotamerFlexibleResidue(Position idx);

        vector<Position> getRotamerFlexibleResidues() const;
 
      private:
        vector<Position> fully_flexible_;
        vector<Position> rotamer_flexible_;
    };
}
 
#endif /* BALL_DOCKING_COMMON_FLEXDEFINITION_H */