#include <math.hpp>

Public Member Functions
std::array< T, 6 >	elements_pdb () const

std::array< T, 6 >	elements_voigt () const

Mat33	as_mat33 () const

T &	unchecked_ref (int i, int j)

T	trace () const

bool	nonzero () const

bool	all_zero () const

void	scale (T s) const

template<typename Real >
SMat33< Real >	scaled (Real s) const

SMat33< T >	added_kI (T k) const

template<typename VT >
auto	r_u_r (const Vec3_< VT > &r) const -> decltype(r.x+u11)

double	r_u_r (const std::array< int, 3 > &h) const

Vec3	multiply (const Vec3 &p) const

SMat33	operator- (const SMat33 &o) const

SMat33	operator+ (const SMat33 &o) const

template<typename Real = double>
SMat33< Real >	transformed_by (const Mat33 &m) const

T	determinant () const

SMat33	inverse () const

std::array< double, 3 >	calculate_eigenvalues () const
	Based on https://en.wikipedia.org/wiki/Eigenvalue_algorithm To calculate both eigenvalues and eigenvectors use eig3.hpp.

Public Attributes
T	u11

T	u22

T	u33

T	u12

T	u13

T	u23

Detailed Description

template<typename T>
struct gemmi::SMat33< T >

Definition at line 273 of file math.hpp.

Member Function Documentation

◆ elements_pdb()

template<typename T >

std::array< T, 6 > gemmi::SMat33< T >::elements_pdb ( ) const

inline

Definition at line 278 of file math.hpp.

◆ elements_voigt()

template<typename T >

std::array< T, 6 > gemmi::SMat33< T >::elements_voigt ( ) const

inline

Definition at line 279 of file math.hpp.

◆ as_mat33()

template<typename T >

Mat33 gemmi::SMat33< T >::as_mat33 ( ) const

inline

Definition at line 281 of file math.hpp.

◆ unchecked_ref()

template<typename T >

T & gemmi::SMat33< T >::unchecked_ref	(	int	i,
		int	j
	)

inline

Definition at line 286 of file math.hpp.

◆ trace()

template<typename T >

T gemmi::SMat33< T >::trace ( ) const

inline

Definition at line 291 of file math.hpp.

◆ nonzero()

template<typename T >

bool gemmi::SMat33< T >::nonzero ( ) const

inline

Definition at line 292 of file math.hpp.

◆ all_zero()

template<typename T >

bool gemmi::SMat33< T >::all_zero ( ) const

inline

Definition at line 294 of file math.hpp.

◆ scale()

template<typename T >

void gemmi::SMat33< T >::scale ( T s ) const

inline

Definition at line 298 of file math.hpp.

◆ scaled()

template<typename T >

template<typename Real >

SMat33< Real > gemmi::SMat33< T >::scaled ( Real s ) const

inline

Definition at line 303 of file math.hpp.

◆ added_kI()

template<typename T >

SMat33< T > gemmi::SMat33< T >::added_kI ( T k ) const

inline

Definition at line 308 of file math.hpp.

◆ r_u_r() [1/2]

template<typename T >

template<typename VT >

auto gemmi::SMat33< T >::r_u_r ( const Vec3_< VT > & r ) const -> decltype(r.x+u11)

inline

Definition at line 314 of file math.hpp.

◆ r_u_r() [2/2]

template<typename T >

double gemmi::SMat33< T >::r_u_r ( const std::array< int, 3 > & h ) const

inline

Definition at line 318 of file math.hpp.

◆ multiply()

template<typename T >

Vec3 gemmi::SMat33< T >::multiply ( const Vec3 & p ) const

inline

Definition at line 323 of file math.hpp.

◆ operator-()

template<typename T >

SMat33 gemmi::SMat33< T >::operator- ( const SMat33< T > & o ) const

inline

Definition at line 329 of file math.hpp.

◆ operator+()

template<typename T >

SMat33 gemmi::SMat33< T >::operator+ ( const SMat33< T > & o ) const

inline

Definition at line 332 of file math.hpp.

◆ transformed_by()

template<typename T >

template<typename Real = double>

SMat33< Real > gemmi::SMat33< T >::transformed_by ( const Mat33 & m ) const

inline

Definition at line 338 of file math.hpp.

◆ determinant()

template<typename T >

T gemmi::SMat33< T >::determinant ( ) const

inline

Definition at line 350 of file math.hpp.

◆ inverse()

template<typename T >

SMat33 gemmi::SMat33< T >::inverse ( ) const

inline

Definition at line 367 of file math.hpp.

◆ calculate_eigenvalues()

template<typename T >

std::array< double, 3 > gemmi::SMat33< T >::calculate_eigenvalues ( ) const

inline

Based on https://en.wikipedia.org/wiki/Eigenvalue_algorithm To calculate both eigenvalues and eigenvectors use eig3.hpp.

Definition at line 373 of file math.hpp.