/***********************************************************************
 * The rDock program was developed from 1998 - 2006 by the software team
 * at RiboTargets (subsequently Vernalis (R&D) Ltd).
 * In 2006, the software was licensed to the University of York for
 * maintenance and distribution.
 * In 2012, Vernalis and the University of York agreed to release the
 * program as Open Source software.
 * This version is licensed under GNU-LGPL version 3.0 with support from
 * the University of Barcelona.
 * http://rdock.sourceforge.net/
 ***********************************************************************/

// Target intramolecular dihedral scoring function
// for flexible receptors
#ifndef _RBTDIHEDRALTARGETSF_H_
#define _RBTDIHEDRALTARGETSF_H_

#include "RbtBaseInterSF.h"
#include "RbtDihedralSF.h"

class RbtDihedralTargetSF: public RbtBaseInterSF, public RbtDihedralSF {
 public:
    // Class type string
    static RbtString _CT;
    // Parameter names

    RbtDihedralTargetSF(const RbtString& strName = "DIHEDRAL");
    virtual ~RbtDihedralTargetSF();

 protected:
    virtual void SetupReceptor();
    virtual void SetupLigand();
    virtual void SetupScore();
    virtual RbtDouble RawScore() const;

    // Clear the dihedral list
    // As we are not using smart pointers, there is some memory management to do
    void ClearReceptor();

 private:
    RbtDihedralList m_dihList;
};

#endif  //_RBTDIHEDRALTARGETSF_H_
