Gromacs
2024.4
|
#include <gromacs/math/include/gromacs/math/gausstransform.h>
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. | |
gmx::GaussTransform3D::GaussTransform3D | ( | const dynamicExtents3D & | extent, |
const GaussianSpreadKernelParameters::Shape & | globalParameters | ||
) |
Construct a three-dimensional Gauss transform.
Transform lattice values will be zero-initialized.
[in] | extent | of the spread lattice |
[in] | globalParameters | of the spreading kernel |
void gmx::GaussTransform3D::add | ( | const GaussianSpreadKernelParameters::PositionAndAmplitude & | localParameters | ) |
Add a three dimensional Gaussian with given amplitude at a coordinate.
[in] | localParameters | of the spreading kernel |