source: src/LinearAlgebra/Vector.hpp@ fd4905

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Last change on this file since fd4905 was 8f4df1, checked in by Frederik Heber <heber@…>, 14 years ago

Merge branch 'AtomicPositionEncapsulation' into stable

Conflicts:

src/Actions/AtomAction/ChangeElementAction.cpp
src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp
src/Makefile.am
src/UIElements/TextUI/TextDialog.cpp
src/analysis_correlation.hpp
src/atom.cpp
src/atom_atominfo.hpp
src/bond.cpp
src/boundary.cpp
src/molecule_geometry.cpp
src/tesselation.cpp
src/tesselationhelpers.cpp
src/triangleintersectionlist.cpp
src/unittests/Makefile.am

  • fixed #includes due to moves to Helpers and LinearAlgebra
  • moved VectorInterface.* and vector_ops.* to LinearAlgebra
  • no more direct access of atom::node, remapped to set/getPosition()
  • no more direct access to atom::type, remapped to set/getType() (also in atom due to derivation and atominfo::AtomicElement is private not protected).
  • Property mode set to 100755
File size: 3.4 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 "defs.hpp"
19#include "LinearAlgebra/Space.hpp"
20
21/********************************************** declarations *******************************/
22
23class Vector;
24class Matrix;
25struct VectorContent;
26
27typedef std::vector<Vector> pointset;
28
29/** Single vector.
30 * basically, just a x[3] but with helpful functions
31 */
32class Vector : public Space{
33 friend Vector operator*(const Matrix&,const Vector&);
34 friend class Matrix;
35public:
36 Vector();
37 Vector(const double x1, const double x2, const double x3);
38 Vector(const double x[3]);
39 Vector(const Vector& src);
40 virtual ~Vector();
41
42 // Method implemented by forwarding to the Representation
43
44 double DistanceSquared(const Vector &y) const;
45 double DistanceToSpace(const Space& space) const;
46 double ScalarProduct(const Vector &y) const;
47 double Angle(const Vector &y) const;
48 bool IsZero() const;
49 bool IsOne() const;
50 bool IsNormalTo(const Vector &normal) const;
51 bool IsEqualTo(const Vector &a) const;
52
53 void AddVector(const Vector &y);
54 void SubtractVector(const Vector &y);
55 void VectorProduct(const Vector &y);
56 void ProjectOntoPlane(const Vector &y);
57 void ProjectIt(const Vector &y);
58 Vector Projection(const Vector &y) const;
59 void ScaleAll(const double *factor);
60 void ScaleAll(const Vector &factor);
61 void Scale(const double factor);
62 bool GetOneNormalVector(const Vector &x1);
63 bool MakeNormalTo(const Vector &y1);
64 std::pair<Vector,Vector> partition(const Vector&) const;
65 std::pair<pointset,Vector> partition(const pointset&) const;
66 size_t GreatestComponent() const;
67 size_t SmallestComponent() const;
68
69 // Accessors ussually come in pairs... and sometimes even more than that
70 double& operator[](size_t i);
71 const double& operator[](size_t i) const;
72 double& at(size_t i);
73 const double& at(size_t i) const;
74
75 // Assignment operator
76 Vector &operator=(const Vector& src);
77
78 // Access to internal structure
79 VectorContent* get();
80
81 // Methods that are derived directly from other methods
82 double Norm() const;
83 double NormSquared() const;
84 void Normalize();
85 void Zero();
86 void One(const double one);
87 void LinearCombinationOfVectors(const Vector &x1, const Vector &x2, const Vector &x3, const double * const factors);
88
89 // operators for mathematical operations
90 bool operator==(const Vector& b) const;
91 bool operator!=(const Vector& b) const;
92 const Vector& operator+=(const Vector& b);
93 const Vector& operator-=(const Vector& b);
94 Vector const operator+(const Vector& b) const;
95 Vector const operator-(const Vector& b) const;
96
97 // Methods inherited from Space
98 virtual double distance(const Vector &point) const;
99 virtual Vector getClosestPoint(const Vector &point) const;
100
101protected:
102
103private:
104 Vector(VectorContent *);
105 VectorContent *content;
106
107};
108
109// some commonly used and fixed vectors
110const extern Vector zeroVec;
111const extern Vector e1;
112const extern Vector e2;
113const extern Vector e3;
114
115ostream & operator << (ostream& ost, const Vector &m);
116const Vector& operator*=(Vector& a, const double m);
117Vector const operator*(const Vector& a, const double m);
118Vector const operator*(const double m, const Vector& a);
119
120#endif /*VECTOR_HPP_*/
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