--- trunk/src/applications/staticProps/P2OrderParameter.hpp 2009/11/25 20:02:06 1390 +++ trunk/src/applications/staticProps/P2OrderParameter.hpp 2011/10/18 13:44:44 1657 @@ -44,34 +44,44 @@ #include "selection/SelectionManager.hpp" #include "applications/staticProps/StaticAnalyser.hpp" +using namespace std; namespace OpenMD { - class P2OrderParameter : public StaticAnalyser{ - public: - P2OrderParameter(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2); - virtual void process(); - - private: - - struct OrderParam{ - RealType p2; - Vector3d director; - RealType angle; - }; - void writeP2(); - - Snapshot* currentSnapshot_; - - std::string selectionScript1_; - std::string selectionScript2_; - SelectionManager seleMan1_; - SelectionManager seleMan2_; - SelectionEvaluator evaluator1_; - SelectionEvaluator evaluator2_; - std::vector > sdPairs_; /**< each pair is used to define a vector, vector = first - second */ - std::vector orderParams_; - + class P2OrderParameter : public StaticAnalyser{ + public: + P2OrderParameter(SimInfo* info, const string& filename, + const string& sele1); + P2OrderParameter(SimInfo* info, const string& filename, + const string& sele1, const string& sele2); + virtual void process(); + + private: + + struct OrderParam{ + RealType p2; + Vector3d director; + RealType angle; + RealType p4; }; + + void writeP2(); + + Snapshot* currentSnapshot_; + + bool doVect_; + string selectionScript1_; + string selectionScript2_; + SelectionManager seleMan1_; + SelectionManager seleMan2_; + SelectionEvaluator evaluator1_; + SelectionEvaluator evaluator2_; + vector > sdPairs_; /**< each pair is used + to define a vector, + v = first - second + */ + vector orderParams_; + + }; } #endif