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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 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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|
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#ifndef BRAINS_STATS_HPP |
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#define BRAINS_STATS_HPP |
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|
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#include <string> |
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|
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#include "math/SquareMatrix3.hpp" |
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namespace oopse { |
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|
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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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TIME = BEGININDEX, |
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TOTAL_ENERGY, |
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POTENTIAL_ENERGY, |
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KINETIC_ENERGY, |
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TEMPERATURE, |
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PRESSURE, |
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VOLUME, |
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CONSERVED_QUANTITY, |
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TRANSLATIONAL_KINETIC, |
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ROTATIONAL_KINETIC, |
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LONG_RANGE_POTENTIAL, |
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SHORT_RANGE_POTENTIAL, |
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VANDERWAALS_POTENTIAL, |
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ELECTROSTATIC_POTENTIAL, |
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BOND_POTENTIAL, |
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BEND_POTENTIAL, |
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DIHEDRAL_POTENTIAL, |
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IMPROPER_POTENTIAL, |
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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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|
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Stats(); |
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const double& operator [](int index) const { |
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assert(index >=0 && index < ENDINDEX); |
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return data_[index]; |
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} |
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|
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double& operator [](int index){ |
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assert(index >=0 && index < ENDINDEX); |
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return data_[index]; |
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} |
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|
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static std::string getTitle(int index) { |
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assert(index >=0 && index < ENDINDEX); |
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return title_[index]; |
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} |
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|
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static std::string getUnits(int index) { |
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assert(index >=0 && index < ENDINDEX); |
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return units_[index]; |
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} |
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|
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Mat3x3d getTau() { |
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return tau_; |
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} |
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|
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void setTau(const Mat3x3d& tau) { |
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tau_ = tau; |
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} |
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|
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private: |
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static void init(); |
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static bool isInit_; |
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double data_[ENDINDEX - BEGININDEX]; |
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static std::string title_[ENDINDEX - BEGININDEX]; |
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static std::string units_[ENDINDEX - BEGININDEX]; |
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Mat3x3d tau_; |
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}; |
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|
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} //end namespace oopse |
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#endif //BRAINS_STATS_HPP |
