basesimulation.h

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/***************************************************************************************************
*****           Copyright (C) 2005  John Schneiderman <JohnMS@member.fsf.org>                  *****
*****                                                                                          *****
*****           This program is free software; you can redistribute it and/or modify           *****
*****           it under the terms of the GNU General Public License as published by           *****
*****           the Free Software Foundation; either version 2 of the License, or              *****
*****           (at your option) any later version.                                            *****
*****                                                                                          *****
*****           This program 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 General Public License for more details.                                   *****
*****                                                                                          *****
*****           You should have received a copy of the GNU General Public License              *****
*****           along with this program; if not, write to the Free Software                    *****
*****           Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301  USA     *****
***************************************************************************************************/
#ifndef _BASE_SIMULATION_H_
#define _BASE_SIMULATION_H_

#include "kineticenergyhist.h"
#include "potentialenergyhist.h"
#include "radialdistribution.h"
#include "radialdensityhist.h"

class Cluster;
class ConfigurationDatabase;

#include <string>
using std::string;

class BaseSimulation
{
public:
    BaseSimulation(const ConfigurationDatabase &conf);
    int runSteps() const;
    int printInterval() const;
    double changeInStep() const;
    void setRunSteps(int steps);
    void setPrintInterval(int interval);
    void setChangeInStep(double change);
    virtual void run(Cluster& cluster, string currentRun, string previousRun)=0;
    void clear();

protected:
    int m_runSteps;
    int m_printInterval;
    double m_stepStart;
    double m_changeInStep;
    KineticEnergyHistogram m_kineticEnergyHistogram;
    PotentialEnergyHistogram m_potentialEnergyHistogram;
    RadialDistributionFunction m_radialDistributionFunction;
    RadialDensityHistogram m_radialDensityHistogram;

    virtual double findLastStep(string previousRun) const=0;
};
#endif

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