matrix.h File Reference

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

Alexey Shvetsov alexx.nosp@m.yum@.nosp@m.gmail.nosp@m..com

Classes
class	gmx::BasicMatrix3x3< ElementType >
	Three-by-three matrix of ElementType. More...

Typedefs
using	gmx::Matrix3x3 = BasicMatrix3x3< real >
	Three-by-three real number matrix. More...

Functions
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::operator* (const ElementType scalar, const BasicMatrix3x3< ElementType > &other)
	Return the product of multiplying the 3x3 matrix other by the scalar.
template<typename ElementType >
BasicVector< ElementType >	gmx::diagonal (const BasicMatrix3x3< ElementType > &matrix)
	Return a vector that is the diagonal of the 3x3 matrix.
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::transpose (BasicMatrix3x3< ElementType > matrix)
	Returns the transposition of matrix.
template<typename ElementType >
constexpr ElementType	gmx::determinant (BasicMatrix3x3< ElementType > matrix)
	Returns the determinant of matrix.
template<typename ElementType >
constexpr ElementType	gmx::trace (BasicMatrix3x3< ElementType > matrix)
	Returns the trace of matrix.
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::diagonalMatrix (const ElementType value)
	Create a diagonal matrix of ElementType. More...
template<typename ElementType >
BasicMatrix3x3< ElementType >	gmx::identityMatrix ()
	Create an identity matrix of ElementType. More...
static Matrix3x3	gmx::createMatrix3x3FromLegacyMatrix (const matrix legacyMatrix)
	Create new matrix type from legacy type.
static void	gmx::fillLegacyMatrix (Matrix3x3 newMatrix, matrix legacyMatrix)
	Fill existing legacy matrix from new matrix type.