ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE-3.0/src/applications/staticProps/GofXyz.hpp
(Generate patch)

Comparing trunk/OOPSE-3.0/src/applications/staticProps/GofXyz.hpp (file contents):
Revision 2048 by tim, Thu Feb 17 19:50:30 2005 UTC vs.
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 44 | Line 44 | class GofXyz : public RadialDistrFunc {
44   #include "applications/staticProps/RadialDistrFunc.hpp"
45   namespace oopse {
46  
47 < class GofXyz : public RadialDistrFunc {
47 >  class GofXyz : public RadialDistrFunc {
48      
49 <    public:
50 <        GofXyz(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, double len, int nrbins);
49 >  public:
50 >    GofXyz(SimInfo* info, const std::string& filename, const std::string& sele1,
51 >           const std::string& sele2, const std::string& sele3,double len, int nrbins);
52  
53 <        int getNRBins() {
54 <            return nRBins_;
55 <        }
53 >    int getNRBins() {
54 >      return nRBins_;
55 >    }
56          
57 <        double getLength() {
58 <            return len_;
59 <        }
57 >    double getLength() {
58 >      return len_;
59 >    }
60          
61 <    private:
61 >  private:
62  
63 <        virtual void preProcess();
64 <        void initalizeHistogram();
65 <        virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
66 <        virtual void writeRdf();
66 <
67 <        Vector3d getMolCom(StuntDouble* sd);
63 >    virtual void preProcess();
64 >    void initalizeHistogram();
65 >    virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2);
66 >    virtual void writeRdf();
67          
68 <        //virtual void validateSelection1(SelectionManager& sman);
68 >    //virtual void validateSelection1(SelectionManager& sman);
69          
70 <        double len_;
71 <        double halfLen_;
72 <        int nRBins_;
73 <        double deltaR_;
70 >    double len_;
71 >    double halfLen_;
72 >    int nRBins_;
73 >    double deltaR_;
74 >
75 >    SelectionEvaluator evaluator3_;
76 >    SelectionManager seleMan3_;
77          
78 <        std::vector<std::vector<std::vector<int> > > histogram_;
78 >    std::vector<std::vector<std::vector<int> > > histogram_;
79  
80 <        struct CoorSet {
79 <            Vector3d xaxis;
80 <            Vector3d yaxis;
81 <            Vector3d zaxis;
82 <        };
80 >    std::map<int, RotMat3x3d> rotMats_;
81  
82 <        std::map<int, CoorSet> coorSets_;
85 <        std::vector<Molecule*> atom2Mol_;
86 < };
82 >  };
83  
84  
85   }

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines