--- trunk/OOPSE-2.0/src/brains/Stats.cpp 2005/05/30 14:01:52 2252 +++ trunk/OOPSE-2.0/src/brains/Stats.cpp 2005/10/17 23:13:44 2380 @@ -54,7 +54,7 @@ namespace oopse { bool Stats::isInit_ = false; std::string Stats::title_[Stats::ENDINDEX - Stats::BEGININDEX]; std::string Stats::units_[Stats::ENDINDEX - Stats::BEGININDEX]; - + Stats::StatsMapType Stats::statsMap; Stats::Stats() { if (!isInit_) { @@ -79,6 +79,7 @@ namespace oopse { Stats::title_[LONG_RANGE_POTENTIAL] = "Long Range Potential"; Stats::title_[SHORT_RANGE_POTENTIAL] = "Short Range Potential"; Stats::title_[VANDERWAALS_POTENTIAL] = "van der waals Potential"; + Stats::title_[ELECTROSTATIC_POTENTIAL] = "Electrostatic Potential"; Stats::title_[BOND_POTENTIAL] = "Bond Potential"; Stats::title_[BEND_POTENTIAL] = "Bend Potential"; Stats::title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential"; @@ -102,6 +103,7 @@ namespace oopse { Stats::units_[LONG_RANGE_POTENTIAL] = "kcal/mol"; Stats::units_[SHORT_RANGE_POTENTIAL] = "kcal/mol"; Stats::units_[VANDERWAALS_POTENTIAL] = "kcal/mol"; + Stats::units_[ELECTROSTATIC_POTENTIAL] = "kcal/mol"; Stats::units_[BOND_POTENTIAL] = "kcal/mol"; Stats::units_[BEND_POTENTIAL] = "kcal/mol"; Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol"; @@ -111,6 +113,30 @@ namespace oopse { Stats::units_[PRESSURE_TENSOR_X] = "amu*fs^-2*Ang^-1"; Stats::units_[PRESSURE_TENSOR_Y] = "amu*fs^-2*Ang^-1"; Stats::units_[PRESSURE_TENSOR_Z] = "amu*fs^-2*Ang^-1"; + + Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME)); + Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY)); + Stats::statsMap.insert(StatsMapType::value_type("POTENTIAL_ENERGY", POTENTIAL_ENERGY)); + Stats::statsMap.insert(StatsMapType::value_type("KINETIC_ENERGY", KINETIC_ENERGY)); + Stats::statsMap.insert(StatsMapType::value_type("TEMPERATURE", TEMPERATURE)); + Stats::statsMap.insert(StatsMapType::value_type("PRESSURE", PRESSURE)); + Stats::statsMap.insert(StatsMapType::value_type("VOLUME", VOLUME)); + Stats::statsMap.insert(StatsMapType::value_type("CONSERVED_QUANTITY", CONSERVED_QUANTITY)); + Stats::statsMap.insert(StatsMapType::value_type("TRANSLATIONAL_KINETIC", TRANSLATIONAL_KINETIC)); + Stats::statsMap.insert(StatsMapType::value_type("ROTATIONAL_KINETIC", ROTATIONAL_KINETIC)); + Stats::statsMap.insert(StatsMapType::value_type("LONG_RANGE_POTENTIAL", LONG_RANGE_POTENTIAL)); + Stats::statsMap.insert(StatsMapType::value_type("SHORT_RANGE_POTENTIAL", SHORT_RANGE_POTENTIAL)); + Stats::statsMap.insert(StatsMapType::value_type("VANDERWAALS_POTENTIAL", VANDERWAALS_POTENTIAL)); + Stats::statsMap.insert(StatsMapType::value_type("ELECTROSTATIC_POTENTIAL", ELECTROSTATIC_POTENTIAL)); + Stats::statsMap.insert(StatsMapType::value_type("BOND_POTENTIAL", BOND_POTENTIAL)); + Stats::statsMap.insert(StatsMapType::value_type("BEND_POTENTIAL", BEND_POTENTIAL)); + Stats::statsMap.insert(StatsMapType::value_type("DIHEDRAL_POTENTIAL", DIHEDRAL_POTENTIAL)); + Stats::statsMap.insert(StatsMapType::value_type("IMPROPER_POTENTIAL", IMPROPER_POTENTIAL)); + Stats::statsMap.insert(StatsMapType::value_type("VRAW", VRAW)); + Stats::statsMap.insert(StatsMapType::value_type("VHARM", VHARM)); + Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_X", PRESSURE_TENSOR_X)); + Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Y", PRESSURE_TENSOR_Y)); + Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Z", PRESSURE_TENSOR_Z)); } }