Changes in src/boundary.hpp [cc2ee5:ed060e]
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src/boundary.hpp
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rcc2ee5 red060e 36 36 BoundaryPointSet(atom *Walker); 37 37 ~BoundaryPointSet(); 38 38 39 39 void AddLine(class BoundaryLineSet *line); 40 40 41 41 LineMap lines; 42 42 int LinesCount; … … 64 64 BoundaryTriangleSet(class BoundaryLineSet *line[3], int number); 65 65 ~BoundaryTriangleSet(); 66 66 67 67 void GetNormalVector(Vector &NormalVector); 68 68 69 69 class BoundaryPointSet *endpoints[3]; 70 70 class BoundaryLineSet *lines[3]; 71 Vector NormalVector;72 71 int Nr; 73 72 }; … … 75 74 class Tesselation { 76 75 public: 77 76 78 77 Tesselation(); 79 78 ~Tesselation(); 80 79 81 80 void TesselateOnBoundary(ofstream *out, config *configuration, molecule *mol); 82 81 void GuessStartingTriangle(ofstream *out); 83 82 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 92 84 PointMap PointsOnBoundary; 93 85 LineMap LinesOnBoundary; 94 86 TriangleMap TrianglesOnBoundary; 95 class BoundaryPointSet *TPS[3]; //this is a Storage for pointers to triangle points, this and BPS[2] needed due to AddLine restrictions96 87 class BoundaryPointSet *BPS[2]; 97 88 class BoundaryLineSet *BLS[3]; … … 100 91 int LinesOnBoundaryCount; 101 92 int TrianglesOnBoundaryCount; 102 int TriangleFilesWritten;103 93 }; 104 94 … … 109 99 110 100 111 double VolumeOfConvexEnvelope(ofstream *out, ofstream *tecplot,config *configuration, Boundaries *BoundaryPoints, molecule *mol);101 double VolumeOfConvexEnvelope(ofstream *out, config *configuration, Boundaries *BoundaryPoints, molecule *mol); 112 102 double * GetDiametersOfCluster(ofstream *out, Boundaries *BoundaryPtr, molecule *mol, bool IsAngstroem); 113 103 void 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);116 104 117 105 -
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