Changeset e8de2e for molecuilder/src/boundary.hpp

Timestamp:

Aug 3, 2009, 4:48:46 PM (16 years ago)

Author:

Saskia Metzler <metzler@…>

Children:

0e2190

Parents:

dc162d

Message:

Adding functions IsInnerAtom() and IsInnerPoint() which can check whether an atom (or a point) is inside or outside the tesselation structure.

File:

• molecuilder/src/boundary.hpp (modified) (2 diffs)

molecuilder/src/boundary.hpp

@@ -104 +104 @@
     int CheckPresenceOfTriangle(ofstream *out, atom *Candidates[3]);
     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);
+    list<atom*> *getClosestConnectedAtoms(atom* Atom, atom* AtomToCheck);
+    list<BoundaryTriangleSet*> *FindTriangles(atom* TrianglePoints[3]);
 
     PointMap PointsOnBoundary;
@@ -132 +134 @@
 bool existsIntersection(Vector point1, Vector point2, Vector point3, Vector point4);
 bool sortCandidates(CandidateForTesselation* candidate1, CandidateForTesselation* candidate2);
+bool IsInnerPoint(Vector Point, class Tesselation *Tess, LinkedCell* LC);
+bool IsInnerAtom(atom *Atom, class Tesselation *Tess, LinkedCell* LC);
+atom* findClosestAtom(const atom* Atom, LinkedCell* LC);
+double getAngle(Vector point, Vector reference, Vector center, Vector OrthogonalVector);
 
 #endif /*BOUNDARY_HPP_*/