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tim |
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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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* @file Stats.hpp |
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* @author tlin |
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* @date 11/04/2004 |
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* @time 23:56am |
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* @version 1.0 |
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*/ |
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#ifndef BRAINS_STATS_HPP |
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#define BRAINS_STATS_HPP |
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#include <string> |
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namespace oopse { |
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/** |
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* @class Stats Stats.hpp "brains/Stats.hpp" |
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*/ |
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class Stats{ |
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public: |
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enum StatsIndex { |
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BEGININDEX = 0, //internal use |
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TOTALENERGY = BEGININDEX, |
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TOTALPOTENTIAL, |
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TOTALKINETIC, |
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TEMPERATURE, |
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PRESSURE, |
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tim |
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CONSERVEQUAN, |
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tim |
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TRANSLATIONALKINETIC, |
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ROTATIONALKINETIC, |
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VANDERWAALS, |
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ELECTROSTATIC, |
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tim |
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OTHERPOTENTIAL, |
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tim |
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BOND, |
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BEND, |
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DIHEDRAL, |
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IMPROPER, |
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VRAW, |
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VHARM, |
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ENDINDEX //internal use |
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}; |
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const double& operator [](StatsIndex index) const { |
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return data_[static_cast<int>(index)]; |
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} |
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double& operator [](StatsIndex index){ |
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return data_[static_cast<int>(index)]; |
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} |
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static std::string getTitle(StatsIndex index) { |
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return title_[static_cast<int>(index)]; |
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} |
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private: |
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double data_[ENDINDEX - BEGININDEX]; |
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static std::string title_[ENDINDEX - BEGININDEX]; |
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}; |
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} //end namespace oopse |
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#endif //BRAINS_STATS_HPP |
