source: molecuilder/src/vector.hpp@ 3219a0

#ifndef VECTOR_HPP_
#define VECTOR_HPP_

class Vector;

/** Single vector.
 * basically, just a x[3] but with helpful functions
 */
class Vector {
        public:
                double x[NDIM];

        Vector();
        Vector(double x1, double x2, double x3);
        ~Vector();

        double Distance(const Vector *y) const;
        double DistanceSquared(const Vector *y) const;
        double PeriodicDistance(const Vector *y, const double *cell_size) const;
        double PeriodicDistanceSquared(const Vector *y, const double *cell_size) const;
        double ScalarProduct(const Vector *y) const;
        double Projection(const Vector *y) const;
        double Norm() const ;
        double Angle(const Vector *y) const;
        bool IsNull();


        void AddVector(const Vector *y);
        void SubtractVector(const Vector *y);
        void CopyVector(const Vector *y);
        void RotateVector(const Vector *y, const double alpha);
        void VectorProduct(const Vector *y);
        void ProjectOntoPlane(const Vector *y);
        void Zero();
        void One(double one);
        void Init(double x1, double x2, double x3);
        void Normalize();
        void Translate(const Vector *x);
        void Mirror(const Vector *x);
        void Scale(double **factor);
        void Scale(double *factor);
        void Scale(double factor);
        void MatrixMultiplication(double *M);
        void InverseMatrixMultiplication(double *M);
        void KeepPeriodic(ofstream *out, double *matrix);
        void LinearCombinationOfVectors(const Vector *x1, const Vector *x2, const Vector *x3, double *factors);
        double CutsPlaneAt(Vector *A, Vector *B, Vector *C);
        bool GetOneNormalVector(const Vector *x1);
        bool MakeNormalVector(const Vector *y1);
        bool MakeNormalVector(const Vector *y1, const Vector *y2);
        bool MakeNormalVector(const Vector *x1, const Vector *x2, const Vector *x3);
        bool SolveSystem(Vector *x1, Vector *x2, Vector *y, double alpha, double beta, double c);
        bool LSQdistance(Vector **vectors, int dim);
        void AskPosition(double *cell_size, bool check);
        bool Output(ofstream *out) const;
};

ostream & operator << (ostream& ost, const Vector &m);
//Vector& operator+=(Vector& a, const Vector& b);
//Vector& operator*=(Vector& a, const double m);
//Vector& operator*(const Vector& a, const double m);
//Vector& operator+(const Vector& a, const Vector& b);

#endif /*VECTOR_HPP_*/