source: src/LinearAlgebra/Vector.hpp@ 888743

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Last change on this file since 888743 was 06aedc, checked in by Frederik Heber <heber@…>, 15 years ago

libMolecuilderLinearAlgebra is now a self-contained library fit for external use.
  • Property mode set to 100755
File size: 3.6 KB
Line 
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 <iosfwd>
14
15#include <memory>
16#include <vector>
17
18#include "LinearAlgebra/defs.hpp"
19#include "LinearAlgebra/Space.hpp"
20
21/********************************************** declarations *******************************/
22
23class Vector;
24class RealSpaceMatrix;
25class MatrixContent;
26struct VectorContent;
27
28typedef std::vector<Vector> pointset;
29
30/** Single vector.
31 * basically, just a x[3] but with helpful functions
32 */
33class Vector : public Space{
34 friend Vector const operator*(const MatrixContent&,const Vector&);
35 friend Vector const operator*(const Vector&,const MatrixContent&);
36 friend class RealSpaceMatrix; // needs access to Vector(VectorContent*&) due to views
37public:
38 Vector();
39 Vector(const double x1, const double x2, const double x3);
40 Vector(const double x[3]);
41 Vector(const Vector& src);
42 virtual ~Vector();
43
44 // Method implemented by forwarding to the Representation
45
46 double DistanceSquared(const Vector &y) const;
47 double DistanceToSpace(const Space& space) const;
48 double ScalarProduct(const Vector &y) const;
49 double Angle(const Vector &y) const;
50 bool IsZero() const;
51 bool IsOne() const;
52 bool IsNormalTo(const Vector &normal) const;
53 bool IsEqualTo(const Vector &a) const;
54
55 void AddVector(const Vector &y);
56 void SubtractVector(const Vector &y);
57 void VectorProduct(const Vector &y);
58 void ProjectOntoPlane(const Vector &y);
59 void ProjectIt(const Vector &y);
60 Vector Projection(const Vector &y) const;
61 void ScaleAll(const double *factor);
62 void ScaleAll(const Vector &factor);
63 void Scale(const double factor);
64 bool GetOneNormalVector(const Vector &x1);
65 bool MakeNormalTo(const Vector &y1);
66 std::pair<Vector,Vector> partition(const Vector&) const;
67 std::pair<pointset,Vector> partition(const pointset&) const;
68 size_t GreatestComponent() const;
69 size_t SmallestComponent() const;
70
71 // Accessors ussually come in pairs... and sometimes even more than that
72 double& operator[](size_t i);
73 const double& operator[](size_t i) const;
74 double& at(size_t i);
75 const double& at(size_t i) const;
76
77 // Assignment operator
78 Vector &operator=(const Vector& src);
79
80 // Access to internal structure
81 VectorContent* get() const;
82
83 // Methods that are derived directly from other methods
84 double Norm() const;
85 double NormSquared() const;
86 void Normalize();
87 Vector getNormalized() const;
88 void Zero();
89 void One(const double one);
90 void LinearCombinationOfVectors(const Vector &x1, const Vector &x2, const Vector &x3, const double * const factors);
91
92 // operators for mathematical operations
93 bool operator==(const Vector& b) const;
94 bool operator!=(const Vector& b) const;
95 const Vector& operator+=(const Vector& b);
96 const Vector& operator-=(const Vector& b);
97 Vector const operator+(const Vector& b) const;
98 Vector const operator-(const Vector& b) const;
99 const Vector& operator*=(const double m);
100 const Vector operator*(const double m) const;
101
102 // Methods inherited from Space
103 virtual double distance(const Vector &point) const;
104 virtual Vector getClosestPoint(const Vector &point) const;
105
106 explicit Vector(VectorContent *&);
107 explicit Vector(VectorContent &_content);
108protected:
109
110private:
111 VectorContent *content;
112
113};
114
115// some commonly used and fixed vectors
116const extern Vector zeroVec;
117const extern Vector unitVec[NDIM];
118
119ostream & operator << (ostream& ost, const Vector &m);
120const Vector operator*(const double m, const Vector& a);
121
122#endif /*VECTOR_HPP_*/
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