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

// Reference ligand site mapper function class

#ifndef _RBTLIGANDSITEMAPPER_H_
#define _RBTLIGANDSITEMAPPER_H_

#include "RbtSiteMapper.h"

class RbtLigandSiteMapper: public RbtSiteMapper {
 public:
    // Static data member for class type
    static RbtString _CT;
    // Parameter names
    static RbtString _REF_MOL;
    static RbtString _VOL_INCR;
    static RbtString _SMALL_SPHERE;
    static RbtString _GRIDSTEP;
    static RbtString _RADIUS;
    static RbtString _MIN_VOLUME;
    static RbtString _MAX_CAVITIES;

    RbtLigandSiteMapper(const RbtString& strName = "LIGAND_MAPPER");
    virtual ~RbtLigandSiteMapper();

    // Override RbtSiteMapper pure virtual
    // This is the function which actually does the mapping
    virtual RbtCavityList operator()();
};

// Useful typedefs
typedef SmartPtr<RbtLigandSiteMapper> RbtLigandSiteMapperPtr;  // Smart pointer

#endif  //_RBTLIGANDSITEMAPPER_H_
