source: src/vector.hpp@ c4d4df

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Last change on this file since c4d4df was c4d4df, checked in by Frederik Heber <heber@…>, 16 years ago

Pair correlation analysis added.

Unit tests are working fine.

  • Property mode set to 100755
File size: 3.7 KB
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1#ifndef VECTOR_HPP_
2#define VECTOR_HPP_
3
4using namespace std;
5
6/*********************************************** includes ***********************************/
7
8// include config.h
9#ifdef HAVE_CONFIG_H
10#include <config.h>
11#endif
12
13#include <gsl/gsl_vector.h>
14#include <gsl/gsl_multimin.h>
15
16#include "defs.hpp"
17
18/********************************************** declarations *******************************/
19
20/** Single vector.
21 * basically, just a x[3] but with helpful functions
22 */
23class Vector {
24 public:
25 double x[NDIM];
26
27 Vector();
28 Vector(double x1, double x2, double x3);
29 ~Vector();
30
31 double Distance(const Vector *y) const;
32 double DistanceSquared(const Vector *y) const;
33 double DistanceToPlane(ofstream *out, Vector *PlaneNormal, Vector *PlaneOffset);
34 double PeriodicDistance(const Vector *y, const double *cell_size) const;
35 double PeriodicDistanceSquared(const Vector *y, const double *cell_size) const;
36 double ScalarProduct(const Vector *y) const;
37 double Norm() const;
38 double NormSquared() const;
39 double Angle(const Vector *y) const;
40 bool IsZero() const;
41 bool IsOne() const;
42 bool IsNormalTo(const Vector *normal) const;
43
44 void AddVector(const Vector *y);
45 void SubtractVector(const Vector *y);
46 void CopyVector(const Vector *y);
47 void CopyVector(const Vector y);
48 void RotateVector(const Vector *y, const double alpha);
49 void VectorProduct(const Vector *y);
50 void ProjectOntoPlane(const Vector *y);
51 void ProjectIt(const Vector *y);
52 Vector Projection(const Vector *y) const;
53 void Zero();
54 void One(double one);
55 void Init(double x1, double x2, double x3);
56 void Normalize();
57 void Translate(const Vector *x);
58 void Mirror(const Vector *x);
59 void Scale(double **factor);
60 void Scale(double *factor);
61 void Scale(double factor);
62 void MatrixMultiplication(const double *M);
63 double * InverseMatrix(double *A);
64 void InverseMatrixMultiplication(const double *M);
65 void KeepPeriodic(ofstream *out, double *matrix);
66 void LinearCombinationOfVectors(const Vector *x1, const Vector *x2, const Vector *x3, double *factors);
67 double CutsPlaneAt(Vector *A, Vector *B, Vector *C);
68 bool GetIntersectionWithPlane(ofstream *out, Vector *PlaneNormal, Vector *PlaneOffset, Vector *Origin, Vector *LineVector);
69 bool GetIntersectionOfTwoLinesOnPlane(ofstream *out, Vector *Line1a, Vector *Line1b, Vector *Line2a, Vector *Line2b, const Vector *Normal = NULL);
70 bool GetOneNormalVector(const Vector *x1);
71 bool MakeNormalVector(const Vector *y1);
72 bool MakeNormalVector(const Vector *y1, const Vector *y2);
73 bool MakeNormalVector(const Vector *x1, const Vector *x2, const Vector *x3);
74 bool SolveSystem(Vector *x1, Vector *x2, Vector *y, double alpha, double beta, double c);
75 bool LSQdistance(Vector **vectors, int dim);
76 void AskPosition(double *cell_size, bool check);
77 bool Output(ofstream *out) const;
78 bool IsInParallelepiped(Vector offset, double *parallelepiped);
79 void WrapPeriodically(const double *M, const double *Minv);
80};
81
82ostream & operator << (ostream& ost, const Vector &m);
83bool operator==(const Vector& a, const Vector& b);
84Vector& operator+=(Vector& a, const Vector& b);
85Vector& operator-=(Vector& a, const Vector& b);
86Vector& operator*=(Vector& a, const double m);
87Vector& operator*(const Vector& a, const double m);
88Vector& operator*(const double m, const Vector& a);
89Vector& operator+(const Vector& a, const Vector& b);
90Vector& operator-(const Vector& a, const Vector& b);
91
92// some algebraic matrix stuff
93#define RDET3(a) ((a)[0]*(a)[4]*(a)[8] + (a)[3]*(a)[7]*(a)[2] + (a)[6]*(a)[1]*(a)[5] - (a)[2]*(a)[4]*(a)[6] - (a)[5]*(a)[7]*(a)[0] - (a)[8]*(a)[1]*(a)[3]) //!< hard-coded determinant of a 3x3 matrix
94#define RDET2(a0,a1,a2,a3) ((a0)*(a3)-(a1)*(a2)) //!< hard-coded determinant of a 2x2 matrix
95
96
97
98#endif /*VECTOR_HPP_*/
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