source: molecuilder/src/vector.hpp@ eb167d

Last change on this file since eb167d 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 100755
File size: 2.5 KB
Line 
1#ifndef VECTOR_HPP_
2#define VECTOR_HPP_
3
4using namespace std;
5
6#include "helpers.hpp"
7
8class Vector;
9
10/** Single vector.
11 * basically, just a x[3] but with helpful functions
12 */
13class Vector {
14 public:
15 double x[NDIM];
16
17 Vector();
18 Vector(double x1, double x2, double x3);
19 ~Vector();
20
21 double Distance(const Vector *y) const;
22 double DistanceSquared(const Vector *y) const;
23 double PeriodicDistance(const Vector *y, const double *cell_size) const;
24 double PeriodicDistanceSquared(const Vector *y, const double *cell_size) const;
25 double ScalarProduct(const Vector *y) const;
26 double Projection(const Vector *y) const;
27 double Norm() const;
28 double NormSquared() const;
29 double Angle(const Vector *y) const;
30
31 void AddVector(const Vector *y);
32 void SubtractVector(const Vector *y);
33 void CopyVector(const Vector *y);
34 void RotateVector(const Vector *y, const double alpha);
35 void VectorProduct(const Vector *y);
36 void ProjectOntoPlane(const Vector *y);
37 void Zero();
38 void One(double one);
39 void Init(double x1, double x2, double x3);
40 void Normalize();
41 void Translate(const Vector *x);
42 void Mirror(const Vector *x);
43 void Scale(double **factor);
44 void Scale(double *factor);
45 void Scale(double factor);
46 void MatrixMultiplication(double *M);
47 double * InverseMatrix(double *A);
48 void InverseMatrixMultiplication(double *M);
49 void KeepPeriodic(ofstream *out, double *matrix);
50 void LinearCombinationOfVectors(const Vector *x1, const Vector *x2, const Vector *x3, double *factors);
51 double CutsPlaneAt(Vector *A, Vector *B, Vector *C);
52 bool GetIntersectionWithPlane(ofstream *out, Vector *PlaneNormal, Vector *PlaneOffset, Vector *LineVector, Vector *LineVector2);
53 bool GetIntersectionOfTwoLinesOnPlane(ofstream *out, Vector *Line1a, Vector *Line1b, Vector *Line2a, Vector *Line2b);
54 bool GetOneNormalVector(const Vector *x1);
55 bool MakeNormalVector(const Vector *y1);
56 bool MakeNormalVector(const Vector *y1, const Vector *y2);
57 bool MakeNormalVector(const Vector *x1, const Vector *x2, const Vector *x3);
58 bool SolveSystem(Vector *x1, Vector *x2, Vector *y, double alpha, double beta, double c);
59 bool LSQdistance(Vector **vectors, int dim);
60 void AskPosition(double *cell_size, bool check);
61 bool Output(ofstream *out) const;
62};
63
64ostream & operator << (ostream& ost, Vector &m);
65//Vector& operator+=(Vector& a, const Vector& b);
66//Vector& operator*=(Vector& a, const double m);
67//Vector& operator*(const Vector& a, const double m);
68//Vector& operator+(const Vector& a, const Vector& b);
69
70#endif /*VECTOR_HPP_*/
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