gmx::GaussTransform3D Class Reference

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

Description

Sums Gaussian values at three dimensional lattice coordinates. The Gaussian is defined as .

x0:              X           x
              /   \        / \
            --     --    --   --
  lattice: |    |    |    |    |    |    |

The lattice has spacing 1, all coordinates are given with respect to the lattice coordinates.

Classes
class	Impl
	Private implementation class for GaussTransform3D. More...

Public Member Functions
	GaussTransform3D (const dynamicExtents3D &extent, const GaussianSpreadKernelParameters::Shape &globalParameters)
	Construct a three-dimensional Gauss transform. More...
	GaussTransform3D (const GaussTransform3D &other)
	Copy constructor.
GaussTransform3D &	operator= (const GaussTransform3D &other)
	Copy assignment.
	GaussTransform3D (GaussTransform3D &&other) noexcept
	Move constructor.
GaussTransform3D &	operator= (GaussTransform3D &&other) noexcept
	Move assignment.
void	add (const GaussianSpreadKernelParameters::PositionAndAmplitude &localParameters)
	Add a three dimensional Gaussian with given amplitude at a coordinate. More...
void	setZero ()
	Set all values on the lattice to zero.
basic_mdspan< float, dynamicExtents3D >	view ()
	Return a view on the spread lattice.
basic_mdspan< const float, dynamicExtents3D >	constView () const
	Return a const view on the spread lattice.

Constructor & Destructor Documentation

gmx::GaussTransform3D::GaussTransform3D	(	const dynamicExtents3D &	extent,
		const GaussianSpreadKernelParameters::Shape &	globalParameters
	)

Construct a three-dimensional Gauss transform.

Transform lattice values will be zero-initialized.

Parameters

[in]	extent	of the spread lattice
[in]	globalParameters	of the spreading kernel

Member Function Documentation

void gmx::GaussTransform3D::add

(

const GaussianSpreadKernelParameters::PositionAndAmplitude &

localParameters

)

Add a three dimensional Gaussian with given amplitude at a coordinate.

Parameters

[in]

localParameters

of the spreading kernel

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

• src/gromacs/math/include/gromacs/math/gausstransform.h
• src/gromacs/math/gausstransform.cpp