source: molecuilder/src/SingleVector.hpp@ 1f591b

Last change on this file since 1f591b was 0f55b2, checked in by Tillmann Crueger <crueger@…>, 16 years ago

Started work on the VectorComposites

  • Property mode set to 100755
File size: 3.1 KB
Line 
1#ifndef SINGLEVECTOR_HPP_
2#define SINGLEVECTOR_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 <iostream>
14#include <gsl/gsl_vector.h>
15#include <gsl/gsl_multimin.h>
16#include "vector.hpp"
17
18#include "defs.hpp"
19
20/********************************************** declarations *******************************/
21
22/** Single vector.
23 * basically, just a x[3] but with helpful functions
24 */
25class SingleVector : public Vector {
26public:
27
28 SingleVector();
29 SingleVector(const double x1, const double x2, const double x3);
30 SingleVector(const Vector& src);
31 virtual ~SingleVector();
32
33 virtual double Distance(const Vector &y) const;
34 virtual double DistanceSquared(const Vector &y) const;
35 virtual double DistanceToPlane(const Vector &PlaneNormal, const Vector &PlaneOffset) const;
36 virtual double PeriodicDistance(const Vector &y, const double * const cell_size) const;
37 virtual double PeriodicDistanceSquared(const Vector &y, const double * const cell_size) const;
38 virtual double ScalarProduct(const Vector &y) const;
39 virtual double Norm() const;
40 virtual double NormSquared() const;
41 virtual double Angle(const Vector &y) const;
42 virtual bool IsZero() const;
43 virtual bool IsOne() const;
44 virtual bool IsNormalTo(const Vector &normal) const;
45 virtual bool IsEqualTo(const Vector &a) const;
46
47 virtual void VectorProduct(const Vector &y);
48 virtual void ProjectOntoPlane(const Vector &y);
49 virtual void ProjectIt(const Vector &y);
50 virtual Vector Projection(const Vector &y) const;
51 virtual void Zero();
52 virtual void One(const double one);
53 virtual void Init(const double x1, const double x2, const double x3);
54 virtual void Normalize();
55 virtual void Translate(const Vector &x);
56 virtual void Mirror(const Vector &x);
57 virtual void Scale(const double ** const factor);
58 virtual void Scale(const double * const factor);
59 virtual void Scale(const double factor);
60 virtual void MatrixMultiplication(const double * const M);
61 virtual bool InverseMatrixMultiplication(const double * const M);
62 virtual void KeepPeriodic(const double * const matrix);
63 virtual void LinearCombinationOfVectors(const Vector &x1, const Vector &x2, const Vector &x3, const double * const factors);
64 virtual bool GetOneNormalVector(const Vector &x1);
65 virtual bool MakeNormalTo(const Vector &y1);
66 //bool SolveSystem(Vector * x1, Vector * x2, Vector * y, const double alpha, const double beta, const double c);
67 virtual bool IsInParallelepiped(const Vector &offset, const double * const parallelepiped) const;
68 virtual void WrapPeriodically(const double * const M, const double * const Minv);
69
70 // Accessors ussually come in pairs... and sometimes even more than that
71 virtual double& operator[](size_t i);
72 virtual const double& operator[](size_t i) const;
73 virtual double& at(size_t i);
74 virtual const double& at(size_t i) const;
75
76 // Assignment operator
77 virtual Vector &operator=(const Vector& src);
78
79 // Access to internal structure
80 virtual double* get();
81
82private:
83 double x[NDIM];
84
85};
86
87#endif /*SINGLEVECTOR_HPP_*/
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