--- trunk/src/selection/TokenMap.cpp 2005/04/05 23:09:48 452 +++ branches/development/src/selection/TokenMap.cpp 2011/11/22 20:38:56 1665 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -6,19 +6,10 @@ * redistribute this software in source and binary code form, provided * that the following conditions are met: * - * 1. Acknowledgement of the program authors must be made in any - * publication of scientific results based in part on use of the - * program. An acceptable form of acknowledgement is citation of - * the article in which the program was described (Matthew - * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher - * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented - * Parallel Simulation Engine for Molecular Dynamics," - * J. Comput. Chem. 26, pp. 252-271 (2005)) - * - * 2. Redistributions of source code must retain the above copyright + * 1. Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * - * 3. Redistributions in binary form must reproduce the above copyright + * 2. Redistributions in binary form must reproduce the above copyright * notice, this list of conditions and the following disclaimer in the * documentation and/or other materials provided with the * distribution. @@ -37,15 +28,25 @@ * arising out of the use of or inability to use software, even if the * University of Notre Dame has been advised of the possibility of * such damages. + * + * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your + * research, please cite the appropriate papers when you publish your + * work. Good starting points are: + * + * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). + * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #include "selection/TokenMap.hpp" -namespace oopse { +namespace OpenMD { -TokenMap* TokenMap::instance_ = NULL; + TokenMap* TokenMap::instance_ = NULL; -TokenMap::TokenMap() { + TokenMap::TokenMap() { tokenMap_.insert(TokenMapType::value_type("define", Token(Token::define, std::string("define")))); tokenMap_.insert(TokenMapType::value_type("select", Token(Token::select, std::string("select")))); //tokenMap_.insert(TokenMapType::value_type("selected", Token(Token::selected, std::string("selected")))); @@ -69,22 +70,27 @@ TokenMap::TokenMap() { tokenMap_.insert(TokenMapType::value_type("<", Token(Token::opLT, std::string("<")))); tokenMap_.insert(TokenMapType::value_type("<=", Token(Token::opLE, std::string("<=")))); tokenMap_.insert(TokenMapType::value_type(">=", Token(Token::opGE, std::string(">=")))); - tokenMap_.insert(TokenMapType::value_type(">", Token(Token::opGT, std::string(">=")))); + tokenMap_.insert(TokenMapType::value_type(">", Token(Token::opGT, std::string(">")))); tokenMap_.insert(TokenMapType::value_type("==", Token(Token::opEQ, std::string("==")))); tokenMap_.insert(TokenMapType::value_type("!=", Token(Token::opNE, std::string("!=")))); tokenMap_.insert(TokenMapType::value_type("within", Token(Token::within, std::string("within")))); tokenMap_.insert(TokenMapType::value_type(".", Token(Token::dot, std::string(".")))); tokenMap_.insert(TokenMapType::value_type("mass", Token(Token::mass, std::string("mass")))); tokenMap_.insert(TokenMapType::value_type("charge", Token(Token::charge, std::string("charge")))); + tokenMap_.insert(TokenMapType::value_type("hull", Token(Token::hull, std::string("hull")))); + tokenMap_.insert(TokenMapType::value_type("x", Token(Token::x, std::string("x")))); + tokenMap_.insert(TokenMapType::value_type("y", Token(Token::y, std::string("y")))); + tokenMap_.insert(TokenMapType::value_type("z", Token(Token::z, std::string("z")))); + tokenMap_.insert(TokenMapType::value_type("r", Token(Token::r, std::string("r")))); tokenMap_.insert(TokenMapType::value_type("to", Token(Token::to, std::string("to")))); tokenMap_.insert(TokenMapType::value_type("all", Token(Token::all, std::string("all")))); tokenMap_.insert(TokenMapType::value_type("none", Token(Token::none, std::string("none")))); -} + } -Token* TokenMap::getToken(const std::string& ident) { + Token* TokenMap::getToken(const std::string& ident) { std::map::iterator i = tokenMap_.find(ident); return i != tokenMap_.end() ? &(i->second) : NULL; + } } -}