LennardJonesForceField.h

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/******************************************************************************
*       SOFA, Simulation Open-Framework Architecture, version 1.0 beta 3      *
*                (c) 2006-2008 MGH, INRIA, USTL, UJF, CNRS                    *
*                                                                             *
* This library 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; either version 2.1 of the License, or (at     *
* your option) any later version.                                             *
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* This library is distributed in the hope that it will be useful, but WITHOUT *
* ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or       *
* FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License *
* for more details.                                                           *
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* You should have received a copy of the GNU Lesser General Public License    *
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* Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301 USA.          *
*******************************************************************************
*                               SOFA :: Modules                               *
*                                                                             *
* Authors: The SOFA Team and external contributors (see Authors.txt)          *
*                                                                             *
* Contact information: contact@sofa-framework.org                             *
******************************************************************************/
#ifndef SOFA_COMPONENT_FORCEFIELD_LENNARDJONESFORCEFIELD_H
#define SOFA_COMPONENT_FORCEFIELD_LENNARDJONESFORCEFIELD_H

#include <sofa/core/componentmodel/behavior/ForceField.h>
#include <sofa/core/componentmodel/behavior/MechanicalState.h>
#include <vector>

namespace sofa
{

namespace component
{

  namespace forcefield
  {

    template<class DataTypes>
    class LennardJonesForceField : public sofa::core::componentmodel::behavior::ForceField<DataTypes>, public virtual core::objectmodel::BaseObject
    {
    public:
      typedef sofa::core::componentmodel::behavior::ForceField<DataTypes> Inherit;
      typedef typename DataTypes::VecCoord VecCoord;
      typedef typename DataTypes::VecDeriv VecDeriv;
      typedef typename DataTypes::Coord Coord;
      typedef typename DataTypes::Deriv Deriv;
      typedef typename Coord::value_type Real;
    
    protected:
      Real a,b;
      Data<Real> alpha,beta,dmax,fmax;
      Data<Real> d0,p0;
      Data<Real> damping;

      struct DForce
      {
    unsigned int a,b;
    Real df;
      };
    
      sofa::helper::vector<DForce> dforces;
    
    public:
      LennardJonesForceField()
    : a(1)
    , b(1)
    , alpha  (initData(&alpha  ,Real(6), "alpha"  ,"Alpha"))
    , beta   (initData(&beta   ,Real(12),"beta"   ,"Beta"))
    , dmax   (initData(&dmax   ,Real(2), "dmax"   ,"DMax"))
    , fmax   (initData(&fmax   ,Real(1), "fmax"   ,"FMax"))
    , d0     (initData(&d0     ,Real(1), "d0"     ,"d0"))
    , p0     (initData(&p0     ,Real(1), "p0"     ,"p0"))
    , damping(initData(&damping,Real(0), "damping","Damping"))
    {
    }
    
    void setAlpha(Real v) { alpha.setValue(v); }
    void setBeta(Real v) { beta.setValue(v); }
    void setFMax(Real v) { fmax.setValue(v); }
    void setDMax(Real v) { dmax.setValue(v); }
    void setD0(Real v) { d0.setValue(v); }
    void setP0(Real v) { p0.setValue(v); }
    void setDamping(Real v) { damping.setValue(v); }

    
    virtual void init();
    
    virtual void addForce (VecDeriv& f, const VecCoord& x, const VecDeriv& v);
    
        virtual void addDForce (VecDeriv& df, const VecDeriv& dx);
    
    virtual double getPotentialEnergy(const VecCoord& x);
    
    void draw();

    };

  } // namespace forcefield

} // namespace component

} // namespace sofa

#endif