/*   []----------------------------------------[]
      |            SteepestDescent.h           |
     []----------------------------------------[]
      |                                        |
      |   AUTHOR:    MFSomers 2005.            |
      |   USE:       Defines a conformation    |
      |              searcher using steepest   |
      |              descent method...         |
      |                                        |
     []----------------------------------------[]
*/

// Copyright (C) 2005 M.F. Somers, Theoretical Chemistry Department, Leiden University
//
// This is free software; you can redistribute it and/or modify it under the terms of
// the GNU Lesser General Public License as published by the Free Software Foundation.
//
// http://www.gnu.org/licenses/lgpl.txt

#if !defined(__STEEPEST_DESCENT_INCLUDED__)

#define __STEEPEST_DESCENT_INCLUDED__

#include "Global.h"
#include "Vector.h"
#include "Constants.h"
#include "ClassicalDynamics.h"

#include "DistanceConstraint.h"

/* --------------------------------------------------------- */

class   SteepestDescent;
typedef SteepestDescent *SteepestDescentPointer;

class SteepestDescent : public ClassicalStates
                        { public:
			  
			  SteepestDescent( unsigned int TheId = GET_NEW_ID ) : ClassicalStates( 2, TheId )
			  {
			   Type = SteepestDescentMinimizer;
			  };
			  SteepestDescent( SteepestDescent& D ) : ClassicalStates( D )
			  {
			  };
			  
			  virtual SteepestDescent& operator=( SteepestDescent& D )
			  {
			   if( &D == &(*this) ) return( (*this) );
			   ClassicalStates::operator=( D );
			   return( (*this) );
			  };
			  
			  virtual SteepestDescentPointer Clone()
			  {
			   return( new SteepestDescent( (*this) ) );
			  }
			  virtual SteepestDescentPointer Create( unsigned int TheId = GET_NEW_ID  )
			  {
			   return( new SteepestDescent( TheId ) );
			  }			  
			  
			  virtual ParticleListPointer GetFinalStateParticlesPointer( void )
			  {
			   return( GetStateParticlesPointer( 1 ) );
			  }			  
			  
			  virtual InteractionListPointer GetFinalStateInteractionsPointer( void )
			  {
			   return( GetStateInteractionsPointer( 1 ) );
			  }
			  
			  virtual double RelativeTotalInteractionPotentialChange( void );
			  virtual int StepSteepestDescent( double StepSize, ConstraintListPointer Constraints = NULL );
			  virtual int FindMinima( int MaxSteps, double MaxStepSize, double Accuracy = CONST_EPSILON, ConstraintListPointer Constraints = NULL );
	                 };
			   
/* --------------------------------------------------------- */

#endif