| 35 |
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* |
| 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, 24107 (2008). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 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" |
| 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(">=")))); |
| 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")))); |
| 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")))); |
| 96 |
|
|
| 97 |
|
return i != tokenMap_.end() ? &(i->second) : NULL; |
| 98 |
|
} |
| 99 |
+ |
|
| 100 |
+ |
TokenMap::~TokenMap() { |
| 101 |
+ |
tokenMap_.clear(); |
| 102 |
+ |
} |
| 103 |
|
} |