| 1 | < | /* | 
| 1 | > | /* | 
| 2 |  | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 |  | * | 
| 4 |  | * The University of Notre Dame grants you ("Licensee") a | 
| 6 |  | * redistribute this software in source and binary code form, provided | 
| 7 |  | * that the following conditions are met: | 
| 8 |  | * | 
| 9 | < | * 1. Acknowledgement of the program authors must be made in any | 
| 10 | < | *    publication of scientific results based in part on use of the | 
| 11 | < | *    program.  An acceptable form of acknowledgement is citation of | 
| 12 | < | *    the article in which the program was described (Matthew | 
| 13 | < | *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 | < | *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 | < | *    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 | < | *    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
| 17 | < | * | 
| 18 | < | * 2. Redistributions of source code must retain the above copyright | 
| 9 | > | * 1. Redistributions of source code must retain the above copyright | 
| 10 |  | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  | * | 
| 12 | < | * 3. Redistributions in binary form must reproduce the above copyright | 
| 12 | > | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 |  | *    notice, this list of conditions and the following disclaimer in the | 
| 14 |  | *    documentation and/or other materials provided with the | 
| 15 |  | *    distribution. | 
| 28 |  | * arising out of the use of or inability to use software, even if the | 
| 29 |  | * University of Notre Dame has been advised of the possibility of | 
| 30 |  | * such damages. | 
| 31 | + | * | 
| 32 | + | * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 | + | * research, please cite the appropriate papers when you publish your | 
| 34 | + | * work.  Good starting points are: | 
| 35 | + | * | 
| 36 | + | * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | 
| 37 | + | * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | 
| 38 | + | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). | 
| 39 | + | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | + | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 |  | */ | 
| 42 |  |  | 
| 43 |  | #include "selection/TokenMap.hpp" | 
| 44 |  |  | 
| 45 | < | namespace oopse { | 
| 45 | > | namespace OpenMD { | 
| 46 |  |  | 
| 47 | < | TokenMap* TokenMap::instance_ = NULL; | 
| 47 | > | TokenMap* TokenMap::instance_ = NULL; | 
| 48 |  |  | 
| 49 | < | TokenMap::TokenMap() { | 
| 50 | < | tokenMap_.insert(std::make_pair("define", Token(Token::define, std::string("define")))); | 
| 51 | < | tokenMap_.insert(std::make_pair("select", Token(Token::select, std::string("select")))); | 
| 52 | < | //tokenMap_.insert(std::make_pair("selected", Token(Token::selected, std::string("selected")))); | 
| 49 | > | TokenMap::TokenMap() { | 
| 50 | > | tokenMap_.insert(TokenMapType::value_type("define", Token(Token::define, std::string("define")))); | 
| 51 | > | tokenMap_.insert(TokenMapType::value_type("select", Token(Token::select, std::string("select")))); | 
| 52 | > | //tokenMap_.insert(TokenMapType::value_type("selected", Token(Token::selected, std::string("selected")))); | 
| 53 |  |  | 
| 54 |  | //expressions | 
| 55 | < | tokenMap_.insert(std::make_pair("(", Token(Token::leftparen, std::string("(")))); | 
| 56 | < | tokenMap_.insert(std::make_pair(")", Token(Token::rightparen, std::string(")")))); | 
| 56 | < | tokenMap_.insert(std::make_pair("-", Token(Token::hyphen, std::string("-")))); | 
| 55 | > | tokenMap_.insert(TokenMapType::value_type("(", Token(Token::leftparen, std::string("(")))); | 
| 56 | > | tokenMap_.insert(TokenMapType::value_type(")", Token(Token::rightparen, std::string(")")))); | 
| 57 |  |  | 
| 58 | < | tokenMap_.insert(std::make_pair("and", Token(Token::opAnd, std::string("and")))); | 
| 59 | < | tokenMap_.insert(std::make_pair("&", Token(Token::opAnd, std::string("and")))); | 
| 60 | < | tokenMap_.insert(std::make_pair("&&", Token(Token::opAnd, std::string("and")))); | 
| 58 | > | tokenMap_.insert(TokenMapType::value_type("and", Token(Token::opAnd, std::string("and")))); | 
| 59 | > | tokenMap_.insert(TokenMapType::value_type("&", Token(Token::opAnd, std::string("and")))); | 
| 60 | > | tokenMap_.insert(TokenMapType::value_type("&&", Token(Token::opAnd, std::string("and")))); | 
| 61 |  |  | 
| 62 | < | tokenMap_.insert(std::make_pair("or", Token(Token::opOr, std::string("or")))); | 
| 63 | < | tokenMap_.insert(std::make_pair(",", Token(Token::opOr, std::string("or")))); | 
| 64 | < | tokenMap_.insert(std::make_pair("|", Token(Token::opOr, std::string("or")))); | 
| 65 | < | tokenMap_.insert(std::make_pair("||", Token(Token::opOr, std::string("or")))); | 
| 62 | > | tokenMap_.insert(TokenMapType::value_type("or", Token(Token::opOr, std::string("or")))); | 
| 63 | > | tokenMap_.insert(TokenMapType::value_type(",", Token(Token::opOr, std::string("or")))); | 
| 64 | > | tokenMap_.insert(TokenMapType::value_type("|", Token(Token::opOr, std::string("or")))); | 
| 65 | > | tokenMap_.insert(TokenMapType::value_type("||", Token(Token::opOr, std::string("or")))); | 
| 66 |  |  | 
| 67 | < | tokenMap_.insert(std::make_pair("not", Token(Token::opNot, std::string("not")))); | 
| 68 | < | tokenMap_.insert(std::make_pair("!", Token(Token::opNot, std::string("not")))); | 
| 67 | > | tokenMap_.insert(TokenMapType::value_type("not", Token(Token::opNot, std::string("not")))); | 
| 68 | > | tokenMap_.insert(TokenMapType::value_type("!", Token(Token::opNot, std::string("not")))); | 
| 69 |  |  | 
| 70 | < | tokenMap_.insert(std::make_pair("<", Token(Token::opLT, std::string("<")))); | 
| 71 | < | tokenMap_.insert(std::make_pair("<=", Token(Token::opLE, std::string("<=")))); | 
| 72 | < | tokenMap_.insert(std::make_pair(">=", Token(Token::opGE, std::string(">=")))); | 
| 73 | < | tokenMap_.insert(std::make_pair(">", Token(Token::opGT, std::string(">=")))); | 
| 74 | < | tokenMap_.insert(std::make_pair("==", Token(Token::opEQ, std::string("==")))); | 
| 75 | < | tokenMap_.insert(std::make_pair("!=", Token(Token::opNE, std::string("!=")))); | 
| 76 | < | tokenMap_.insert(std::make_pair("within", Token(Token::within, std::string("within")))); | 
| 77 | < | tokenMap_.insert(std::make_pair(".", Token(Token::dot, std::string(".")))); | 
| 78 | < | tokenMap_.insert(std::make_pair("mass", Token(Token::mass, std::string("mass")))); | 
| 79 | < | tokenMap_.insert(std::make_pair("dipole", Token(Token::dipole, std::string("dipole")))); | 
| 80 | < | tokenMap_.insert(std::make_pair("charge", Token(Token::charge, std::string("charge")))); | 
| 81 | < | //tokenMap_.insert(std::make_pair("name", Token(Token::name, std::string("name")))); | 
| 82 | < | //tokenMap_.insert(std::make_pair("index", Token(Token::index, std::string("index")))); | 
| 83 | < | //tokenMap_.insert(std::make_pair("molname", Token(Token::molname, std::string("molname")))); | 
| 84 | < | //tokenMap_.insert(std::make_pair("molindex", Token(Token::molindex, std::string("molindex")))); | 
| 70 | > | tokenMap_.insert(TokenMapType::value_type("<", Token(Token::opLT, std::string("<")))); | 
| 71 | > | tokenMap_.insert(TokenMapType::value_type("<=", Token(Token::opLE, std::string("<=")))); | 
| 72 | > | tokenMap_.insert(TokenMapType::value_type(">=", Token(Token::opGE, std::string(">=")))); | 
| 73 | > | tokenMap_.insert(TokenMapType::value_type(">", Token(Token::opGT, std::string(">")))); | 
| 74 | > | tokenMap_.insert(TokenMapType::value_type("==", Token(Token::opEQ, std::string("==")))); | 
| 75 | > | tokenMap_.insert(TokenMapType::value_type("!=", Token(Token::opNE, std::string("!=")))); | 
| 76 | > | tokenMap_.insert(TokenMapType::value_type("within", Token(Token::within, std::string("within")))); | 
| 77 | > | tokenMap_.insert(TokenMapType::value_type(".", Token(Token::dot, std::string(".")))); | 
| 78 | > | tokenMap_.insert(TokenMapType::value_type("mass", Token(Token::mass, std::string("mass")))); | 
| 79 | > | tokenMap_.insert(TokenMapType::value_type("charge", Token(Token::charge, std::string("charge")))); | 
| 80 | > | tokenMap_.insert(TokenMapType::value_type("hull", Token(Token::hull, std::string("hull")))); | 
| 81 | > | tokenMap_.insert(TokenMapType::value_type("x", Token(Token::x, std::string("x")))); | 
| 82 | > | tokenMap_.insert(TokenMapType::value_type("y", Token(Token::y, std::string("y")))); | 
| 83 | > | tokenMap_.insert(TokenMapType::value_type("z", Token(Token::z, std::string("z")))); | 
| 84 | > | tokenMap_.insert(TokenMapType::value_type("wrappedx", Token(Token::wrappedX, std::string("wrappedx")))); | 
| 85 | > | tokenMap_.insert(TokenMapType::value_type("wrappedy", Token(Token::wrappedY, std::string("wrappedy")))); | 
| 86 | > | tokenMap_.insert(TokenMapType::value_type("wrappedz", Token(Token::wrappedZ, std::string("wrappedz")))); | 
| 87 | > | tokenMap_.insert(TokenMapType::value_type("r", Token(Token::r, std::string("r")))); | 
| 88 | > | tokenMap_.insert(TokenMapType::value_type("to", Token(Token::to, std::string("to")))); | 
| 89 | > |  | 
| 90 | > | tokenMap_.insert(TokenMapType::value_type("all", Token(Token::all, std::string("all")))); | 
| 91 | > | tokenMap_.insert(TokenMapType::value_type("none", Token(Token::none, std::string("none")))); | 
| 92 | > | } | 
| 93 |  |  | 
| 94 | < | tokenMap_.insert(std::make_pair("*", Token(Token::asterisk, std::string("*")))); | 
| 87 | < | tokenMap_.insert(std::make_pair("all", Token(Token::all, std::string("all")))); | 
| 88 | < | tokenMap_.insert(std::make_pair("none", Token(Token::none, std::string("none")))); | 
| 89 | < | } | 
| 90 | < |  | 
| 91 | < | Token* TokenMap::getToken(const std::string& ident) { | 
| 94 | > | Token* TokenMap::getToken(const std::string& ident) { | 
| 95 |  | std::map<std::string, Token>::iterator i = tokenMap_.find(ident); | 
| 96 |  |  | 
| 97 |  | return i != tokenMap_.end() ? &(i->second) : NULL; | 
| 98 | + | } | 
| 99 | + |  | 
| 100 | + | TokenMap::~TokenMap() { | 
| 101 | + | tokenMap_.clear(); | 
| 102 | + | } | 
| 103 |  | } | 
| 96 | – | } |