| 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). | 
| 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 |  | #ifndef SELECTION_SELECTIONEVALUATOR_HPP | 
| 53 |  | #include "selection/SelectionCompiler.hpp" | 
| 54 |  | #include "selection/NameFinder.hpp" | 
| 55 |  | #include "selection/DistanceFinder.hpp" | 
| 56 | + | #include "selection/HullFinder.hpp" | 
| 57 |  | #include "selection/IndexFinder.hpp" | 
| 58 |  | #include "utils/OpenMDBitSet.hpp" | 
| 59 |  | #include "primitives/StuntDouble.hpp" | 
| 131 |  | OpenMDBitSet expression(const std::vector<Token>& tokens, int pc); | 
| 132 |  |  | 
| 133 |  | OpenMDBitSet lookupValue(const std::string& variable); | 
| 134 | + |  | 
| 135 | + | OpenMDBitSet hull(); | 
| 136 |  |  | 
| 137 |  | void evalError(const std::string& message) { | 
| 138 |  | sprintf( painCave.errMsg, | 
| 183 |  | std::vector<int> linenumbers; | 
| 184 |  | std::vector<int> lineIndices; | 
| 185 |  | std::vector<std::vector<Token> > aatoken; | 
| 186 | < | int pc; // program counter | 
| 186 | > | unsigned int pc; // program counter | 
| 187 |  |  | 
| 188 |  | bool error; | 
| 189 |  | std::string errorMessage; | 
| 194 |  | SimInfo* info; | 
| 195 |  | NameFinder nameFinder; | 
| 196 |  | DistanceFinder distanceFinder; | 
| 197 | + | HullFinder hullFinder; | 
| 198 |  | IndexFinder indexFinder; | 
| 199 |  | int nStuntDouble;   //nGLOBALatoms + nGLOBALrigidbodies | 
| 200 |  |  |