--- trunk/OOPSE-2.0/src/brains/Stats.cpp 2005/01/12 22:41:40 1930 +++ trunk/OOPSE-2.0/src/brains/Stats.cpp 2005/05/22 21:05:15 2238 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -39,32 +39,32 @@ * such damages. */ - /** - * @file Stats.cpp - * @author tlin - * @date 11/04/2004 - * @time 14:26am - * @version 1.0 - */ +/** + * @file Stats.cpp + * @author tlin + * @date 11/04/2004 + * @time 14:26am + * @version 1.0 + */ #include "brains/Stats.hpp" namespace oopse { -bool Stats::isInit_ = false; -std::string Stats::title_[Stats::ENDINDEX - Stats::BEGININDEX]; -std::string Stats::units_[Stats::ENDINDEX - Stats::BEGININDEX]; + bool Stats::isInit_ = false; + std::string Stats::title_[Stats::ENDINDEX - Stats::BEGININDEX]; + std::string Stats::units_[Stats::ENDINDEX - Stats::BEGININDEX]; -Stats::Stats() { + Stats::Stats() { if (!isInit_) { - init(); - isInit_ = true; + init(); + isInit_ = true; } -} + } -void Stats::init() { + void Stats::init() { Stats::title_[TIME] = "Time"; Stats::title_[TOTAL_ENERGY] = "Total Energy"; @@ -85,6 +85,10 @@ void Stats::init() { Stats::title_[IMPROPER_POTENTIAL] = "Improper Potential"; Stats::title_[VRAW] = "Raw Potential"; Stats::title_[VHARM] = "Harmonic Potential"; + Stats::title_[PRESSURE_TENSOR_X] = "presure tensor x"; + Stats::title_[PRESSURE_TENSOR_Y] = "presure tensor y"; + Stats::title_[PRESSURE_TENSOR_Z] = "presure tensor z"; + Stats::units_[TIME] = "fs"; Stats::units_[TOTAL_ENERGY] = "kcal/mol"; @@ -105,6 +109,10 @@ void Stats::init() { Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol"; Stats::units_[VRAW] = "kcal/mol"; Stats::units_[VHARM] = "kcal/mol"; -} + 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"; + } + }