#include <gromacs/math/include/gromacs/math/coordinatetransformation.h>

Description

Affine transformation of three-dimensional coordinates.

Performs in-place coordinate transformations.

Coordinates are first multiplied by a matrix, then translated.

Public Member Functions
	AffineTransformation (const Matrix3x3 &mat, const RVec &translation)
	Construct a three-dimensional affine transformation. More...

void	operator() (ArrayRef< RVec > vectors) const
	Perform an affine transformation on input vectors. More...

void	operator() (RVec *vector) const
	Perform an affine transformation on a vector. More...

Matrix3x3	gradient () const
	Return the gradient of this affine transformation. More...

Constructor & Destructor Documentation

gmx::AffineTransformation::AffineTransformation	(	const Matrix3x3 &	mat,
		const RVec &	translation
	)

Construct a three-dimensional affine transformation.

Parameters

[in]	mat	to be applied to the vectors
[in]	translation	to be performed on the vectors

Matrix3x3 gmx::AffineTransformation::gradient ( ) const

Return the gradient of this affine transformation.

The gradient of an affine transformation is the transpose of the linear transformation matrix. See, eg, here https://inst.eecs.berkeley.edu/~ee127/sp21/livebook/def_gradient.html

void gmx::AffineTransformation::operator() ( ArrayRef< RVec > vectors ) const

Perform an affine transformation on input vectors.

Parameters

[in,out] vectors to be transformed in-place

void gmx::AffineTransformation::operator() ( RVec * vector ) const

Perform an affine transformation on a vector.

Parameters

[in,out] vector to be transformed in-place

The documentation for this class was generated from the following files: