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/* |
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* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
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* |
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* Contact: oopse@oopse.org |
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* |
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* This program is free software; you can redistribute it and/or |
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* modify it under the terms of the GNU Lesser General Public License |
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* as published by the Free Software Foundation; either version 2.1 |
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* of the License, or (at your option) any later version. |
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* All we ask is that proper credit is given for our work, which includes |
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* - but is not limited to - adding the above copyright notice to the beginning |
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* of your source code files, and to any copyright notice that you may distribute |
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* with programs based on this work. |
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* |
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* This program is distributed in the hope that it will be useful, |
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* but WITHOUT ANY WARRANTY; without even the implied warranty of |
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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* GNU Lesser General Public License for more details. |
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* |
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* You should have received a copy of the GNU Lesser General Public License |
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* along with this program; if not, write to the Free Software |
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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
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* |
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*/ |
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|
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/** |
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* @file Integrator.hpp |
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* @author tlin |
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* @date 11/08/2004 |
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* @time 13:25am |
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* @version 1.0 |
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*/ |
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|
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#ifndef INTEGRATORS_INTEGRATOR_HPP |
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#define INTEGRATORS_INTEGRATOR_HPP |
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|
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#include "brains/ForceManager.hpp" |
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#include "io/DumpWriter.hpp" |
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#include "io/StatWriter.hpp" |
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#include "integrators/Velocitizer.hpp" |
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|
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namespace oopse { |
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|
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|
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/** |
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* @class Integrator Integrator.hpp "integrators/Integrator.hpp" |
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* @brief Base class of Integrator |
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* @todo document |
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*/ |
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class Integrator { |
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public: |
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|
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virtual ~Integrator(); |
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|
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//avoid public virtual function |
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void integrate() { |
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doIntegrate(); |
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} |
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|
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void update() { |
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doUpdate(); |
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} |
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|
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void setForceManager(ForceManager* forceMan) { |
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if (forceMan_ != forceMan && forceMan_ != NULL) { |
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delete forceMan_; |
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} |
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forceMan_ = forceMan; |
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} |
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|
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void setVelocitizer(Velocitizer* velocitizer) { |
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if (velocitizer_ != velocitizer && velocitizer_ != NULL) { |
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delete velocitizer_; |
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} |
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velocitizer_ = velocitizer; |
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} |
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|
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protected: |
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|
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virtual void doIntegrate() = 0; |
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virtual void doUpdate() {} |
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|
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Integrator(SimInfo* info); |
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|
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SimInfo* info_; |
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ForceManager* forceMan_; |
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bool needPotential; |
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bool needStress; |
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|
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Velocitizer* velocitizer_; |
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bool needVelocityScaling; |
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double targetScalingTemp; |
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|
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DumpWriter*dumpWriter; |
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StatWriter* statWriter; |
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Thermo thermo; |
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|
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double runTime; |
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double sampleTime; |
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double statusTime; |
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double thermalTime; |
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double dt; |
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|
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Snapshot* currentSnapshot_; //During the integration, the address of currentSnapshot Will not change |
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|
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private: |
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|
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virtual double calcConservedQuantity() = 0; |
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|
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virtual DumpWriter* createDumpWriter() = 0; |
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|
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virtual StatWriter* createStatWriter() = 0; |
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}; |
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|
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|
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} |
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#endif //INTEGRATORS_INTEGRATOR_HPP |
