| 52 |
|
#include "selection/SelectionCompiler.hpp" |
| 53 |
|
#include "selection/NameFinder.hpp" |
| 54 |
|
#include "selection/DistanceFinder.hpp" |
| 55 |
+ |
#include "selection/IndexFinder.hpp" |
| 56 |
|
#include "utils/BitSet.hpp" |
| 57 |
|
#include "primitives/StuntDouble.hpp" |
| 58 |
|
#include "utils/StringUtils.hpp" |
| 59 |
|
namespace oopse { |
| 60 |
|
|
| 61 |
|
|
| 61 |
– |
//class Context { |
| 62 |
– |
// public: |
| 63 |
– |
// |
| 64 |
– |
// void clear() { |
| 65 |
– |
// linenumbers.clear(); |
| 66 |
– |
// lineIndices.clear(); |
| 67 |
– |
// aatoken.clear(); |
| 68 |
– |
// } |
| 69 |
– |
// |
| 70 |
– |
// std::string filename; |
| 71 |
– |
// std::string script; |
| 72 |
– |
// std::vector<int> linenumbers; |
| 73 |
– |
// std::vector<int> lineIndices; |
| 74 |
– |
// std::vector<std::vector<Token> > aatoken; |
| 75 |
– |
// int pc; |
| 76 |
– |
//}; |
| 77 |
– |
|
| 78 |
– |
|
| 62 |
|
/** |
| 63 |
|
* @class SelectionEvaluator SelectionEvaluator.hpp "selection/SelectionEvaluator" |
| 64 |
|
* @brief Evalute the tokens compiled by SelectionCompiler and return a BitSet |
| 74 |
|
|
| 75 |
|
BitSet evaluate(); |
| 76 |
|
|
| 94 |
– |
//BitSet evaluate(Snapshot* snapshot); |
| 95 |
– |
|
| 77 |
|
/** |
| 78 |
|
* Tests if the result from evaluation of script is dynamic. |
| 79 |
|
*/ |
| 161 |
|
|
| 162 |
|
|
| 163 |
|
bool containDynamicToken(const std::vector<Token>& tokens); |
| 164 |
+ |
|
| 165 |
+ |
double getCharge(Atom* atom); |
| 166 |
|
|
| 167 |
|
SelectionCompiler compiler; |
| 168 |
|
|
| 187 |
|
SimInfo* info; |
| 188 |
|
NameFinder nameFinder; |
| 189 |
|
DistanceFinder distanceFinder; |
| 190 |
+ |
IndexFinder indexFinder; |
| 191 |
|
int nStuntDouble; //natoms + nrigidbodies |
| 192 |
|
|
| 193 |
|
typedef std::map<std::string, boost::any > VariablesType; |
