matrix.h File Reference

#include <array>
#include "gromacs/math/multidimarray.h"
#include "gromacs/math/utilities.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/real.h"

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Description

Declares special case of 3x3 matrix frequently used, and associated functions.

Author

Christian Blau cblau.nosp@m.@gwd.nosp@m.g.de

Typedefs
template<class ElementType >
using	gmx::BasicMatrix3x3 = MultiDimArray< std::array< ElementType, 3 *3 >, extents< 3, 3 >>
	Three-by-three matrix of ElementType. More...
using	gmx::Matrix3x3 = BasicMatrix3x3< real >
	Three-by-three real number matrix. More...
using	gmx::Matrix3x3Span = Matrix3x3::view_type
	Convenience alias for a matrix view.
using	gmx::Matrix3x3ConstSpan = Matrix3x3::const_view_type
	Convenience alias for a const matrix view.

Functions
constexpr real	gmx::determinant (Matrix3x3ConstSpan matrix)
	Determinant of a 3x3 matrix.
constexpr real	gmx::trace (Matrix3x3ConstSpan matrixView)
	Calculates the trace of a 3x3 matrix view.
template<typename ElementType , int N, int M = N>
MultiDimArray< std::array < ElementType, N *M >, extents < N, M > >	gmx::diagonalMatrix (const ElementType value)
	Create a diagonal matrix of ElementType with N * M elements. More...
template<typename ElementType , int N, int M = N>
MultiDimArray< std::array < ElementType, N *M >, extents < N, M > >	gmx::identityMatrix ()
	Create an identity matrix of ElementType with N * M elements. More...
Matrix3x3	gmx::transpose (Matrix3x3ConstSpan matrixView)
	Calculate the transpose of a 3x3 matrix, from its view.
void	gmx::matrixVectorMultiply (Matrix3x3ConstSpan matrix, RVec *v)
	Multiply matrix with vector.
static Matrix3x3	gmx::createMatrix3x3FromLegacyMatrix (const matrix legacyMatrix)
	Create new matrix type from legacy type.
static void	gmx::fillLegacyMatrix (Matrix3x3ConstSpan newMatrix, matrix legacyMatrix)
	Fill legacy matrix from new matrix type.
template<typename ElementType >
BasicVector< ElementType >	gmx::multiplyVectorByMatrix (const BasicMatrix3x3< ElementType > &m, const rvec v)
	Return the product of multiplying the vector v by the 3x3 matrix m.
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::operator+ (const BasicMatrix3x3< ElementType > &a, const BasicMatrix3x3< ElementType > &b)
	Return the sum of two 3x3 matrices a and b.
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::operator- (const BasicMatrix3x3< ElementType > &a, const BasicMatrix3x3< ElementType > &b)
	Return the difference between two 3x3 matrices a and b.
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::operator- (const BasicMatrix3x3< ElementType > &a)
	Return the negative 3x3 matrix from matrix a.
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::inner (const BasicMatrix3x3< ElementType > &a, const BasicMatrix3x3< ElementType > &b)
	Return the inner product of multiplication of two 3x3 matrices a and b.
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::operator* (const BasicMatrix3x3< ElementType > &a, const BasicMatrix3x3< ElementType > &b)
	Return the inner product of multiplication of two 3x3 matrices a and b.
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::operator* (const BasicMatrix3x3< ElementType > &m, const ElementType s)
	Return the product of multiplying the 3x3 matrix m by the scalar s.
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::operator* (const ElementType s, const BasicMatrix3x3< ElementType > &m)
	Return the product of multiplying the 3x3 matrix m by the scalar s.
template<typename ElementType >
BasicVector< ElementType >	gmx::diagonal (const BasicMatrix3x3< ElementType > &m)
	Return a vector that is the diagonal of the 3x3 matrix m.