source: molecuilder/src/tesselationhelpers.hpp@ 609e48

Last change on this file since 609e48 was 834ff3, checked in by Frederik Heber <heber@…>, 16 years ago

Huge refactoring of Tesselation routines, but not finished yet.

  • new file tesselation.cpp with all of classes tesselation, Boundary..Set and CandidatesForTesselationOB
  • new file tesselationhelper.cpp with all auxiliary functions.
  • boundary.cpp just contains super functions, combininb molecule and Tesselation pointers
  • new pointer molecule::TesselStruct
  • PointMap, LineMap, TriangleMap DistanceMap have been moved from molecules.hpp to tesselation.hpp
  • new abstract class PointCloud and TesselPoint
  • atom inherits TesselPoint
  • molecule inherits PointCloud (i.e. a set of TesselPoints) and implements all virtual functions for the chained list
  • TriangleFilesWritten is thrown out, intermediate steps are written in find_nonconvex_border and not in find_next_triangle()
  • LinkedCell class uses TesselPoint as its nodes, i.e. as long as any class inherits TesselPoint, it may make use of LinkedCell as well and a PointCloud is used to initialize
  • class atom and bond definitions have been moved to own header files

NOTE: This is not bugfree yet. Tesselation of heptan produces way too many triangles, but runs without faults or leaks.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * TesselationHelpers.hpp
3 *
4 * Auxiliary functions for the tesselation.
5 *
6 * Created on: Aug 3, 2009
7 * Author: heber
8 */
9
10#ifndef TESSELATIONHELPERS_HPP_
11#define TESSELATIONHELPERS_HPP_
12
13using namespace std;
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#define HULLEPSILON 1e-7
21
22#include <gsl/gsl_linalg.h>
23#include <gsl/gsl_matrix.h>
24#include <gsl/gsl_multimin.h>
25#include <gsl/gsl_permutation.h>
26#include <gsl/gsl_vector.h>
27
28#include "vector.hpp"
29
30double det_get(gsl_matrix *A, int inPlace);
31void get_sphere(Vector *center, Vector &a, Vector &b, Vector &c, double RADIUS);
32void Get_center_of_sphere(Vector* Center, Vector a, Vector b, Vector c, Vector *NewUmkreismittelpunkt, Vector* Direction, Vector* AlternativeDirection, double HalfplaneIndicator, double AlternativeIndicator, double alpha, double beta, double gamma, double RADIUS, double Umkreisradius);
33void GetCenterofCircumcircle(Vector *Center, Vector *a, Vector *b, Vector *c);
34double GetPathLengthonCircumCircle(Vector &CircleCenter, Vector &CirclePlaneNormal, double CircleRadius, Vector &NewSphereCenter, Vector &OldSphereCenter, Vector &NormalVector, Vector &SearchDirection);
35double MinIntersectDistance(const gsl_vector * x, void *params);
36bool existsIntersection(Vector point1, Vector point2, Vector point3, Vector point4);
37
38//bool Choose_preferable_third_point(atom *Candidate, atom *OptCandidate, class BoundaryLineSet *BaseLine, atom *ThirdNode, Tesselation *Tess);
39
40
41#endif /* TESSELATIONHELPERS_HPP_ */
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