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lammps/lib/poems/workspace.h
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workspace.h
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/*
*_________________________________________________________________________*
* POEMS: PARALLELIZABLE OPEN SOURCE EFFICIENT MULTIBODY SOFTWARE *
* DESCRIPTION: SEE READ-ME *
* FILE NAME: workspace.h *
* AUTHORS: See Author List *
* GRANTS: See Grants List *
* COPYRIGHT: (C) 2005 by Authors as listed in Author's List *
* LICENSE: Please see License Agreement *
* DOWNLOAD: Free at www.rpi.edu/~anderk5 *
* ADMINISTRATOR: Prof. Kurt Anderson *
* Computational Dynamics Lab *
* Rensselaer Polytechnic Institute *
* 110 8th St. Troy NY 12180 *
* CONTACT: anderk5@rpi.edu *
*_________________________________________________________________________*/
#ifndef WORKSPACE_H
#define WORKSPACE_H
#include "matrices.h"
#include <iostream>
#include <fstream>
#include <string>
#include <stdio.h>
#include <iomanip>
#include <vector>
class System;
class Solver;
struct SysData{
System * system;
int solver;
int integrator;
};
class Workspace {
SysData * system; // the multibody systems data
int currentIndex;
int maxAlloc;
public:
Workspace();
~Workspace();
double Thalf;
double Tfull;
double ConFac;
double KE_val;
int FirstTime;
bool LoadFile(char* filename);
bool SaveFile(char* filename, int index = -1);
System* GetSystem(int index = -1);
void AddSolver(Solver* s, int index = -1);
void LobattoOne(double **&xcm, double **&vcm,double **&omega,double **&torque, double **&fcm, double **&ex_space, double **&ey_space, double **&ez_space);
void LobattoTwo(double **&vcm,double **&omega,double **&torque, double **&fcm);
bool MakeSystem(int& nbody, double *&masstotal, double **&inertia, double **&xcm, double **&vcm, double **&omega, double **&ex_space, double **&ey_space, double **&ez_space, int &njoint, int **&jointbody, double **&xjoint, int& nfree, int*freelist, double dthalf, double dtv, double tempcon, double KE);
bool SaveSystem(int& nbody, double *&masstotal, double **&inertia, double **&xcm, double **&xjoint, double **&vcm, double **&omega, double **&ex_space, double **&ey_space, double **&ez_space, double **&acm, double **&alpha, double **&torque, double **&fcm, int **&jointbody, int &njoint);
bool MakeDegenerateSystem(int& nfree, int*freelist, double *&masstotal, double **&inertia, double **&xcm, double **&vcm, double **&omega, double **&ex_space, double **&ey_space, double **&ez_space);
int getNumberOfSystems();
void SetLammpsValues(double dtv, double dthalf, double tempcon);
void SetKE(int temp, double SysKE);
void RKStep(double **&xcm, double **&vcm,double **&omega,double **&torque, double **&fcm, double **&ex_space, double **&ey_space, double **&ez_space);
void WriteFile(char* filename);
private:
void allocateNewSystem(); //helper function to handle vector resizing and such for the array of system pointers
};
#endif
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