--- trunk/src/brains/Stats.cpp 2007/04/06 21:53:43 1126 +++ trunk/src/brains/Stats.cpp 2008/07/04 20:54:29 1275 @@ -73,6 +73,8 @@ namespace oopse { Stats::title_[TEMPERATURE] = "Temperature"; Stats::title_[PRESSURE] = "Pressure"; Stats::title_[VOLUME] = "Volume"; + Stats::title_[HULLVOLUME] = "Hull Volume"; + Stats::title_[GYRVOLUME] = "Gyrational Volume"; Stats::title_[CONSERVED_QUANTITY] = "Conserved Quantity"; Stats::title_[TRANSLATIONAL_KINETIC] = "Translational Kinetic"; Stats::title_[ROTATIONAL_KINETIC] = "Rotational Kinetic"; @@ -83,7 +85,7 @@ namespace oopse { Stats::title_[BOND_POTENTIAL] = "Bond Potential"; Stats::title_[BEND_POTENTIAL] = "Bend Potential"; Stats::title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential"; - Stats::title_[IMPROPER_POTENTIAL] = "Improper Potential"; + Stats::title_[INVERSION_POTENTIAL] = "Inversion Potential"; Stats::title_[VRAW] = "Raw Potential"; Stats::title_[VHARM] = "Harmonic Potential"; Stats::title_[PRESSURE_TENSOR_XX] = "P_xx"; @@ -106,6 +108,8 @@ namespace oopse { Stats::units_[TEMPERATURE] = "K"; Stats::units_[PRESSURE] = "atm"; Stats::units_[VOLUME] = "A^3"; + Stats::units_[HULLVOLUME] = "A^3"; + Stats::units_[GYRVOLUME] = "A^3"; Stats::units_[CONSERVED_QUANTITY] = "kcal/mol"; Stats::units_[TRANSLATIONAL_KINETIC] = "kcal/mol"; Stats::units_[ROTATIONAL_KINETIC] = "kcal/mol"; @@ -116,7 +120,7 @@ namespace oopse { Stats::units_[BOND_POTENTIAL] = "kcal/mol"; Stats::units_[BEND_POTENTIAL] = "kcal/mol"; Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol"; - Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol"; + Stats::units_[INVERSION_POTENTIAL] = "kcal/mol"; Stats::units_[VRAW] = "kcal/mol"; Stats::units_[VHARM] = "kcal/mol"; Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1"; @@ -149,7 +153,7 @@ namespace oopse { 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("INVERSION_POTENTIAL", INVERSION_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_XX", PRESSURE_TENSOR_XX));