/***********************************************************************
 * 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/
 ***********************************************************************/

// Ligand intramolecular scoring function for vdw potential

#ifndef _RBTVDWINTRASF_H_
#define _RBTVDWINTRASF_H_

#include "RbtBaseIntraSF.h"
#include "RbtVdwSF.h"

class RbtVdwIntraSF: public RbtBaseIntraSF, public RbtVdwSF {
 public:
    // Class type string
    static RbtString _CT;

    RbtVdwIntraSF(const RbtString& strName = "VDW");
    virtual ~RbtVdwIntraSF();

    // Request Handling method
    // Handles the Partition request
    virtual void HandleRequest(RbtRequestPtr spRequest);

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

    // DM 25 Oct 2000 - track changes to parameter values in local data members
    // ParameterUpdated is invoked by RbtParamHandler::SetParameter
    void ParameterUpdated(const RbtString& strName);

 private:
    RbtAtomRListList m_vdwIntns;  // The full list of vdW interactions
    RbtAtomRListList m_prtIntns;  // The partitioned interactions (within partition distance)
    RbtAtomRList m_ligAtomList;
};

#endif  //_RBTVDWINTRASF_H_
