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/* -------------------------------------------------------------------------- *
* MMB (MacroMoleculeBuilder) *
* -------------------------------------------------------------------------- *
* *
* Copyright (c) 2011-12 by the Author. *
* Author: Samuel Flores *
* *
* See RNABuilder.cpp for the copyright and usage agreement. *
* -------------------------------------------------------------------------- */
#ifndef DensityForce_H_
#define DensityForce_H_
#include <math.h>
//#include "SimTKsimbody_aux.h"
#include <iostream>
#include <ostream>
#include <stdlib.h>// for MAX_PATH
#include "SimTKmolmodel.h"
#include "ParameterReader.h"
#include "BiopolymerClass.h"
#include "DensityMap.h"
using namespace SimTK;
using namespace std;
/*inline std::ostream& operator<<(std::ostream& o, const ParameterReader&) {
assert(false);
return o;
};*/
class DensityForce : public Force::Custom::Implementation {
protected:
SimbodyMatterSubsystem& matter;
ParameterReader& myParameterReader;
DensityMap & myDensityMap ;
DuMMForceFieldSubsystem & dumm;
//LeontisWesthofClass& myLeontisWesthofClass;
BiopolymerClassContainer & myBiopolymerClassContainer;
//Biopolymer myChain;
mutable int parameterReaderIndex;
std::ostream& outputStream;
public:
DensityForce (SimbodyMatterSubsystem& matter,ParameterReader& myParameterReader, DensityMap & myDensityMap, DuMMForceFieldSubsystem & dumm, BiopolymerClassContainer & myBiopolymerClassContainer, std::ostream& outputStream ) ;
void calcForce(const State& state, Vector_<SpatialVec>& bodyForces,
Vector_<Vec3>& particleForces, Vector& mobilityForces) const ;
Real calcPotentialEnergy(const State& state) const;
bool dependsOnlyOnPositions() const;
};
#endif
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