source: molecuilder/src/vector.hpp@ 07c050

Last change on this file since 07c050 was 07c050, checked in by Frederik Heber <heber@…>, 17 years ago

Cleaned up all debugging output

  • Property mode set to 100644
File size: 2.1 KB
Line 
1#ifndef VECTOR_HPP_
2#define VECTOR_HPP_
3
4class Vector;
5
6/** Single vector.
7 * basically, just a x[3] but with helpful functions
8 */
9class Vector {
10 public:
11 double x[NDIM];
12
13 Vector();
14 Vector(double x1, double x2, double x3);
15 ~Vector();
16
17 double Distance(const Vector *y) const;
18 double DistanceSquared(const Vector *y) const;
19 double PeriodicDistance(const Vector *y, const double *cell_size) const;
20 double ScalarProduct(const Vector *y) const;
21 double Projection(const Vector *y) const;
22 double Norm() const ;
23 double Angle(const Vector *y) const;
24
25 void AddVector(const Vector *y);
26 void SubtractVector(const Vector *y);
27 void CopyVector(const Vector *y);
28 void RotateVector(const Vector *y, const double alpha);
29 void VectorProduct(const Vector *y);
30 void ProjectOntoPlane(const Vector *y);
31 void Zero();
32 void One(double one);
33 void Init(double x1, double x2, double x3);
34 void Normalize();
35 void Translate(const Vector *x);
36 void Mirror(const Vector *x);
37 void Scale(double **factor);
38 void Scale(double *factor);
39 void Scale(double factor);
40 void MatrixMultiplication(double *M);
41 void InverseMatrixMultiplication(double *M);
42 void KeepPeriodic(ofstream *out, double *matrix);
43 void LinearCombinationOfVectors(const Vector *x1, const Vector *x2, const Vector *x3, double *factors);
44
45 double CutsPlaneAt(Vector *A, Vector *B, Vector *C);
46 bool GetOneNormalVector(const Vector *x1);
47 bool MakeNormalVector(const Vector *y1);
48 bool MakeNormalVector(const Vector *y1, const Vector *y2);
49 bool MakeNormalVector(const Vector *x1, const Vector *x2, const Vector *x3);
50 bool SolveSystem(Vector *x1, Vector *x2, Vector *y, double alpha, double beta, double c);
51 bool LSQdistance(Vector **vectors, int dim);
52
53 void AskPosition(double *cell_size, bool check);
54 bool Output(ofstream *out) const;
55};
56
57ostream & operator << (ostream& ost, Vector &m);
58Vector& operator+=(Vector& a, const Vector& b);
59Vector& operator*=(Vector& a, const double m);
60Vector& operator*(const Vector& a, const double m);
61Vector& operator+(const Vector& a, const Vector& b);
62
63#endif /*VECTOR_HPP_*/
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