ProjectionIntegralTable

class abtem.integrals.ProjectionIntegralTable(radial_gpts, limits, values)

Bases: abtem.integrals.ProjectionIntegrator

A ProjectionIntegrator calculating finite projections of radial potential parametrizations. An integral table for each used to evaluate the projection integrals for each atom in a slice given p integral limits. The projected potential evaluated along the

Parameters

• radial_gpts (array) – The points along a radial in the xy-plane where the projection integrals of the integral table are evaluated.

• limits (array) – The points along the projection direction where the projection integrals are evaluated.

__init__(radial_gpts, limits, values)

Methods

__init__(radial_gpts, limits, values)
integrate(a, b)	rtype np.ndarray
integrate_on_grid(positions, a, b, gpts, ...)	Integrate radial potential between two limits at the given 2D positions on a grid.

Attributes

limits	rtype ndarray
radial_gpts	rtype ndarray
values	rtype ndarray

integrate_on_grid(positions, a, b, gpts, sampling, device='cpu')

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.

Return type

ndarray