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#ifndef _ABSTRACT_CLASSES_H_
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#define _ABSTRACT_CLASSES_H_
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#include <string>
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#include "Atom.hpp"
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#ifdef IS_MPI
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#include "mpi.h"
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#endif
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using namespace std;
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class Constraint{
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public:
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Constraint(){
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}
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~Constraint(){
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}
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int get_a(){
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return a;
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}
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void set_a(int index){
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a = index;
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}
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int get_b(){
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return b;
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}
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void set_b(int index){
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b = index;
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}
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double get_dsqr(){
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return dsqr;
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}
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void set_dsqr(double ds){
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dsqr = ds;
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}
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private:
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int a; /* index of constrained atom a */
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int b; /* index of constrained atom b */
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double dsqr; /* the square of the constraint distance */
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};
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class SRI{
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public:
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SRI(){
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c_potential_E = 0.0;
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}
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virtual ~SRI(){
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}
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virtual void calc_forces() = 0;
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double get_potential(){
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return c_potential_E;
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}
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virtual int is_constrained() = 0;
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virtual Constraint* get_constraint() = 0;
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virtual void constrain(double bond_distance) = 0;
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virtual void printMe(void) = 0;
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protected:
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double c_potential_E;
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};
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class BaseIntegrator{
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public:
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BaseIntegrator(){
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}
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virtual ~BaseIntegrator(){
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}
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virtual void integrate(void) = 0;
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virtual double getConservedQuantity(void) = 0;
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virtual string getAdditionalParameters(void) = 0;
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};
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#endif
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