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  • src/boundary.hpp

    • Property mode changed from 100755 to 100644
    rcc2ee5 red060e  
    3636    BoundaryPointSet(atom *Walker);
    3737    ~BoundaryPointSet();
    38 
     38   
    3939    void AddLine(class BoundaryLineSet *line);
    40 
     40   
    4141    LineMap lines;
    4242    int LinesCount;
     
    6464    BoundaryTriangleSet(class BoundaryLineSet *line[3], int number);
    6565    ~BoundaryTriangleSet();
    66 
     66   
    6767    void GetNormalVector(Vector &NormalVector);
    68 
     68   
    6969    class BoundaryPointSet *endpoints[3];
    7070    class BoundaryLineSet *lines[3];
    71     Vector NormalVector;
    7271    int Nr;
    7372};
     
    7574class Tesselation {
    7675  public:
    77 
     76   
    7877    Tesselation();
    7978    ~Tesselation();
    80 
     79   
    8180    void TesselateOnBoundary(ofstream *out, config *configuration, molecule *mol);
    8281    void GuessStartingTriangle(ofstream *out);
    8382    void AddPoint(atom * Walker);
    84     void AddTrianglePoint(atom* Candidate, int n);
    85     void AddTriangleLine(class BoundaryPointSet *a, class BoundaryPointSet *b, int n);
    86     void AddTriangleToLines();
    87     void Find_starting_triangle(molecule* mol, const double RADIUS);
    88     bool Find_next_suitable_triangle(ofstream *out, ofstream *tecplot, molecule* mol, BoundaryLineSet &Line, BoundaryTriangleSet &T, const double& RADIUS, int N, const char *filename);
    89     bool CheckPresenceOfTriangle(ofstream *out, atom *a, atom *b, atom *c);
    90     void Find_next_suitable_point_via_Angle_of_Sphere(atom* a, atom* b, atom* c, atom* Candidate, atom* Parent, int RecursionLevel, Vector *Chord, Vector *direction1, Vector *OldNormal, Vector ReferencePoint, atom*& Opt_Candidate, double *Storage, const double RADIUS, molecule* mol);
    91 
     83   
    9284    PointMap PointsOnBoundary;
    9385    LineMap LinesOnBoundary;
    9486    TriangleMap TrianglesOnBoundary;
    95     class BoundaryPointSet *TPS[3]; //this is a Storage for pointers to triangle points, this and BPS[2] needed due to AddLine restrictions
    9687    class BoundaryPointSet *BPS[2];
    9788    class BoundaryLineSet *BLS[3];
     
    10091    int LinesOnBoundaryCount;
    10192    int TrianglesOnBoundaryCount;
    102     int TriangleFilesWritten;
    10393};
    10494
     
    10999
    110100
    111 double VolumeOfConvexEnvelope(ofstream *out, ofstream *tecplot, config *configuration, Boundaries *BoundaryPoints, molecule *mol);
     101double VolumeOfConvexEnvelope(ofstream *out, config *configuration, Boundaries *BoundaryPoints, molecule *mol);
    112102double * GetDiametersOfCluster(ofstream *out, Boundaries *BoundaryPtr, molecule *mol, bool IsAngstroem);
    113103void PrepareClustersinWater(ofstream *out, config *configuration, molecule *mol, double ClusterVolume, double celldensity);
    114 void Find_non_convex_border(ofstream *out, ofstream *tecplot, molecule* mol, const char *tempbasename, const double RADIUS);
    115 void Find_next_suitable_point(atom a, atom b, atom Candidate, int n, Vector *d1, Vector *d2, atom*& Opt_Candidate, double *Storage, const double RADIUS, molecule *mol, bool problem);
    116104
    117105
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