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dyzhengdyzheng
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Merge pull request #689 from hongriTianqi/unittest
Doc: add program annotations in timer.h
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‎source/module_base/matrix3.h‎

Lines changed: 248 additions & 50 deletions
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@@ -5,75 +5,273 @@
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#include "../src_parallel/mcd.h"
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#endif
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#include "vector3.h"
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#include "matrix.h"
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#include "vector3.h"
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namespace ModuleBase
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{
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/**
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* @brief 3x3 matrix and related mathamatical operations
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*
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*/
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class Matrix3
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{
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/* data */
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public:
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// element eij: i_row, j_column
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double e11, e12, e13, e21, e22, e23, e31, e32, e33;
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/* Constructors and destructor */
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Matrix3(){ Identity(); }
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Matrix3(const double &r11,const double &r12,const double &r13,
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const double &r21,const double &r22,const double &r23,
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const double &r31,const double &r32,const double &r33);
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void Identity(void);
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void Zero(void);
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double Det(void) const ;
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Matrix3 Transpose(void) const ;
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Matrix3 Inverse(void) const ;
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Matrix3& operator=(const Matrix3 &m);
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Matrix3& operator+=(const Matrix3 &m);
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Matrix3& operator-=(const Matrix3 &m);
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Matrix3& operator*=(const double &s);
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Matrix3& operator/=(const double &s);
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void print(void)const;
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ModuleBase::matrix to_matrix(void)const;
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public:
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/**
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* @brief element e_ij: i_row, j_column
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*
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*/
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double e11, e12, e13, e21, e22, e23, e31, e32, e33;
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/**
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* @brief Construct a new Matrix 3 object
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* to Identity matrix
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*
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*/
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Matrix3()
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{
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Identity();
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}
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/**
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* @brief Construct a new Matrix 3 object
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*
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* @param r11 element r_ij: i_row, j_column
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* @param r12
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* @param r13
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* @param r21
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* @param r22
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* @param r23
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* @param r31
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* @param r32
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* @param r33
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*/
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Matrix3(const double &r11,
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const double &r12,
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const double &r13,
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const double &r21,
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const double &r22,
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const double &r23,
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const double &r31,
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const double &r32,
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const double &r33);
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/**
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* @brief Set a 3x3 matrix to identity matrix
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*
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*/
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void Identity(void);
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/**
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* @brief Set all elements of a 3x3 matrix to zero
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*
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*/
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void Zero(void);
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/**
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* @brief Calculate the determinant of a 3x3 matrix
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*
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* @return double
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*/
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double Det(void) const;
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/**
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* @brief Transpose a 3x3 matrix
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*
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* @return Matrix3
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*/
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Matrix3 Transpose(void) const;
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/**
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* @brief Inverse a 3x3 matrix
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*
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* @return Matrix3
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*/
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Matrix3 Inverse(void) const;
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/**
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* @brief Overload operator "=" for 3x3 matrices
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* For example, assign mb = ma
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*
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* @param m
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* @return Matrix3&
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*/
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Matrix3 &operator=(const Matrix3 &m);
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/**
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* @brief Overload operator "+=" for 3x3 matrices
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* For example, mb += ma
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*
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* @param m
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* @return Matrix3&
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*/
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Matrix3 &operator+=(const Matrix3 &m);
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/**
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* @brief Overload operator "-=" for 3x3 matrices
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* For example, mb -= ma
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*
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* @param m
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* @return Matrix3&
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*/
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Matrix3 &operator-=(const Matrix3 &m);
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/**
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* @brief Overload operator "*=" for 3x3 matrix and
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* a scalar
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* For example, mb *= 3.0
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*
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* @param s The scalar
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* @return Matrix3&
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*/
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Matrix3 &operator*=(const double &s);
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/**
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* @brief Overload operator "/=" for 3x3 matrix and
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* a scalar
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* For example, mb /= 3.0
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*
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* @param s The scalar
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* @return Matrix3&
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*/
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Matrix3 &operator/=(const double &s);
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/**
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* @brief Print a 3x3 matrix on screening
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*
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*/
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void print(void) const;
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/**
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* @brief Change the form of a 3x3 matrix from that of
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* class Matrix3 to that of class matrix
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*
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* @return ModuleBase::matrix
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*/
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ModuleBase::matrix to_matrix(void) const;
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};
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Matrix3 operator +(const Matrix3 &m1, const Matrix3 &m2); //m1+m2
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Matrix3 operator -(const Matrix3 &m1, const Matrix3 &m2); //m1-m2
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Matrix3 operator /(const Matrix3 &m,const double &s); //m/s
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Matrix3 operator *(const Matrix3 &m1,const Matrix3 &m2); //m1*m2
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Matrix3 operator *(const Matrix3 &m,const double &s); //m*s
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Matrix3 operator *(const double &s, const Matrix3 &m); //s*m
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template<typename T> ModuleBase::Vector3<double> operator *(const Matrix3 &m, const ModuleBase::Vector3<T> &u); //m*u // Peize Lin change ModuleBase::Vector3<T> 2017-01-10
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template<typename T> ModuleBase::Vector3<double> operator *(const ModuleBase::Vector3<T> &u, const Matrix3 &m); //u*m // Peize Lin change ModuleBase::Vector3<T> 2017-01-10
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/**
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* @brief Overload operator "+" for two 3x3 matrices m1 and m2
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* i.e. m1+m2
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*
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* @param m1
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* @param m2
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* @return Matrix3
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*/
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Matrix3 operator+(const Matrix3 &m1, const Matrix3 &m2);
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/**
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* @brief Overload operator "-" for two 3x3 matrices m1 and m2,
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* i.e. m1-m2
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*
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* @param m1
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* @param m2
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* @return Matrix3
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*/
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Matrix3 operator-(const Matrix3 &m1, const Matrix3 &m2);
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52-
bool operator ==(const Matrix3 &m1, const Matrix3 &m2); //whether m1 == m2
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bool operator !=(const Matrix3 &m1, const Matrix3 &m2); //whethor m1 != m2
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/**
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* @brief Overload operator "/" for a (Matrix3)/(scalar)
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* i.e. m/s
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*
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* @param m The 3x3 matrix
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* @param s The scalar
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* @return Matrix3
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*/
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Matrix3 operator/(const Matrix3 &m, const double &s);
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186+
/**
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* @brief Overload operator "*" for two 3x3 matrices m1 and m2
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* i.e. m1*m2
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*
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* @param m1
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* @param m2
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* @return Matrix3
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*/
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Matrix3 operator*(const Matrix3 &m1, const Matrix3 &m2);
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196+
/**
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* @brief Overload operator "*" for (Matrix3)*(scalar)
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* i.e. m*s
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*
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* @param m The 3x3 matrix
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* @param s The scalar
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* @return Matrix3
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*/
204+
Matrix3 operator*(const Matrix3 &m, const double &s);
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206+
/**
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* @brief Overload operator "*" for (scalar)*(Matrix3)
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* i.e. s*m
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*
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* @param s The scalar
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* @param m The 3x3 matrix
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* @return Matrix3
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*/
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Matrix3 operator*(const double &s, const Matrix3 &m);
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//m*u
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template<typename T>
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ModuleBase::Vector3<double> operator *(const Matrix3 &m, const ModuleBase::Vector3<T> &u)
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/**
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* @brief Overload operator "*" for (Matrix3)*(Vector3)
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*
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* @tparam T
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* @param m The 3x3 matrix
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* @param u The vector with 3 elements
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* @return ModuleBase::Vector3<double>
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* @author Peize Lin
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*/
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template <typename T> ModuleBase::Vector3<double> operator*(const Matrix3 &m, const ModuleBase::Vector3<T> &u);
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/**
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* @brief Overload operator "*" for (Vector3)*(Matrix3)
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*
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* @tparam T
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* @param u The vector with 3 elements
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* @param m The 3x3 matrix
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* @return ModuleBase::Vector3<double>
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*/
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template <typename T> ModuleBase::Vector3<double> operator*(const ModuleBase::Vector3<T> &u, const Matrix3 &m);
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/**
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* @brief Overload operator "==" to assert
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* the equality between two 3x3 matrices
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*
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* @param m1
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* @param m2
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* @return true: if two matrices equal each other
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* @return false: if they do not equal
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*/
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bool operator==(const Matrix3 &m1, const Matrix3 &m2);
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/**
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* @brief Overload operator "!=" to assert
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* the inequality between two 3x3 matrices
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*
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* @param m1
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* @param m2
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* @return true: if two matrices are inequal
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* @return false: if they equal
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*/
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bool operator!=(const Matrix3 &m1, const Matrix3 &m2); // whethor m1 != m2
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// m*u
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template <typename T> ModuleBase::Vector3<double> operator*(const Matrix3 &m, const ModuleBase::Vector3<T> &u)
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{
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return ModuleBase::Vector3<double>(m.e11*u.x + m.e12*u.y + m.e13*u.z,
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m.e21*u.x + m.e22*u.y + m.e23*u.z,
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m.e31*u.x + m.e32*u.y + m.e33*u.z);
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return ModuleBase::Vector3<double>(m.e11 * u.x + m.e12 * u.y + m.e13 * u.z,
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m.e21 * u.x + m.e22 * u.y + m.e23 * u.z,
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m.e31 * u.x + m.e32 * u.y + m.e33 * u.z);
65265
}
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//u*m
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template<typename T>
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ModuleBase::Vector3<double> operator *(const ModuleBase::Vector3<T> &u, const Matrix3 &m)
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// u*m
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template <typename T> ModuleBase::Vector3<double> operator*(const ModuleBase::Vector3<T> &u, const Matrix3 &m)
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{
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return ModuleBase::Vector3<double>(u.x*m.e11 + u.y*m.e21 + u.z*m.e31,
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u.x*m.e12 + u.y*m.e22 + u.z*m.e32,
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u.x*m.e13 + u.y*m.e23 + u.z*m.e33);
270+
return ModuleBase::Vector3<double>(u.x * m.e11 + u.y * m.e21 + u.z * m.e31,
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u.x * m.e12 + u.y * m.e22 + u.z * m.e32,
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u.x * m.e13 + u.y * m.e23 + u.z * m.e33);
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}
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}
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} // namespace ModuleBase
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#endif // MATRIX3_H
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