--- trunk/src/selection/TokenMap.cpp 2009/11/25 20:02:06 1390 +++ branches/development/src/selection/TokenMap.cpp 2013/04/30 15:56:54 1868 @@ -35,8 +35,9 @@ * * [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] Vardeman & Gezelter, in progress (2009). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (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" @@ -69,16 +70,21 @@ namespace OpenMD { 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("wrappedx", Token(Token::wrappedX, std::string("wrappedx")))); + tokenMap_.insert(TokenMapType::value_type("wrappedy", Token(Token::wrappedY, std::string("wrappedy")))); + tokenMap_.insert(TokenMapType::value_type("wrappedz", Token(Token::wrappedZ, std::string("wrappedz")))); + 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")))); @@ -90,4 +96,8 @@ namespace OpenMD { return i != tokenMap_.end() ? &(i->second) : NULL; } + + TokenMap::~TokenMap() { + tokenMap_.clear(); + } }