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