ProjectedScatteringFactorIntegrator#

class abtem.integrals.ProjectedScatteringFactorIntegrator(scattering_factor)[source]#

Bases: abtem.integrals.ProjectionIntegrator

A ProjectionIntegrator calculating infinite projections of radial potential parametrizations. The hybrid real and reciprocal space method by Wouter Van den Broek et al. is used.

Parameters

scattering_factor (2d array) – Array representing a projected scattering factor. The zero-frequency is assumed to be at [0,0].

References

  1. Van den Broek et al. Ultramicroscopy, 158:89–97, 2015. doi:10.1016/j.ultramic.2015.07.005.

__init__(scattering_factor)[source]#

Methods

__init__(scattering_factor)

integrate_on_grid(positions, a, b, gpts, ...)

Integrate radial potential between two limits at the given 2D positions on a grid.

Attributes

scattering_factor

Projected scattering factor array on a 2D grid.
integrate_on_grid(positions, a, b, gpts, sampling, device='cpu', fourier_space=False)[source]#

Integrate radial potential between two limits at the given 2D positions on a grid. The integration limits are only used when the integration method is finite.

Parameters

  • positions (np.ndarray) – 2D array of xy-positions of the centers of each radial function [Å].

  • a (np.ndarray) – Lower integration limit of the projection integrals along z for each position [Å]. The limit is given relative to the center of the radial function.

  • b (np.ndarray) – Upper integration limit of the projection integrals along z for each position [Å]. The limit is given relative to the center of the radial function.

  • gpts (two int) – Number of grid points in x and y describing each slice of the potential.

  • sampling (two float) – Sampling of the potential in x and y [1 / Å].

  • device (str, optional) – The device used for calculating the potential, ‘cpu’ or ‘gpu’. The default is determined by the user configuration file.

property scattering_factor: numpy.ndarray#

Projected scattering factor array on a 2D grid.

Return type

ndarray