MultisliceTransform

class abtem.multislice.MultisliceTransform(potential, detectors=None, conjugate=False, transpose=False, multislice_func=None, **multislice_func_kwargs)

Bases: WavesTransform[BaseMeasurements]

Transformation applying the multislice algorithm to wave functions, producing new wave functions or measurements.

Parameters:

• potential (BasePotential) – A potential as BasePotential object.

• detectors ((list of) BaseDetector, optional) – A detector or a list of detectors defining how the wave functions should be converted to measurements after running the multislice algorithm.

• conjugate (bool, optional) – If True, use the complex conjugate of the transmission function (default is False).

• transpose (bool, optional) – If True, reverse the order of propagation and transmission (default is False).

• multislice_func (callable, optional) – The multislice function defining the multislice algorithm used (default is multislice_and_detect()).

• **multislice_func_kwargs – Additional keyword arguments passed to the multislice function.

__init__(potential, detectors=None, conjugate=False, transpose=False, multislice_func=None, **multislice_func_kwargs)

Methods

__init__(potential[, detectors, conjugate, ...])
apply(waves[, max_batch])	Run the multislice algorithm on the given wave functions.
copy()	Make a copy.
ensemble_blocks([chunks])	Split the ensemble into an array of smaller ensembles.
generate_blocks([chunks])	Generate chunks of the ensemble.

Attributes

axes_metadata	List of AxisMetadata.
base_axes_metadata	List of AxisMetadata of the base axes.
base_shape	Shape of the base axes.
conjugate	Use the complex conjugate of the transmission function.
detectors	List of detectors defining how the wave functions should be converted to measurements.
distributions
ensemble_axes_metadata	Axes metadata describing the ensemble axes added to the waves when applying the transform.
ensemble_shape	The shape of the ensemble axes added to the waves when applying the transform.
metadata	Metadata added to the waves when applying the transform.
multislice_func	The multislice function defining the multislice algorithm used.
potential	Electrostatic potential for each multislice slice.
shape	Shape of the ensemble.
transpose	Reverse the order of propagation and transmission.

apply(waves, max_batch='auto')

Run the multislice algorithm on the given wave functions. An output is returned for each detector.

Parameters:

• waves (Waves) – The wave functions to run the multislice algorithm on.

• max_batch (int or str, optional) – The maximum batch size to use for the multislice algorithm. If ‘auto’ the batch size is chosen automatically based on the available memory.

Returns:

waves – The wave functions after running the multislice algorithm.

Return type:

tuple of Waves and BaseMeasurements

property axes_metadata: AxesMetadataList

List of AxisMetadata.

property base_axes_metadata: list[AxisMetadata]

List of AxisMetadata of the base axes.

property base_shape: tuple[int, ...]

Shape of the base axes.

property conjugate: bool

Use the complex conjugate of the transmission function.

copy()

Make a copy.

Return type:

Self

property detectors: list[BaseDetector]

List of detectors defining how the wave functions should be converted to measurements.

property ensemble_axes_metadata

Axes metadata describing the ensemble axes added to the waves when applying the transform.

ensemble_blocks(chunks=None)

Split the ensemble into an array of smaller ensembles.

Parameters:

chunks (iterable of tuples) – Block sizes along each dimension.

Return type:

Array

property ensemble_shape

The shape of the ensemble axes added to the waves when applying the transform.

generate_blocks(chunks=1)

Generate chunks of the ensemble.

Parameters:

chunks (iterable of tuples) – Block sizes along each dimension.

Return type:

Generator[tuple[tuple[int, ...], tuple[slice, ...], ndarray], None, None]

property metadata: dict

Metadata added to the waves when applying the transform.

property multislice_func: Callable

The multislice function defining the multislice algorithm used.

property potential: BasePotential

Electrostatic potential for each multislice slice.

property shape: tuple[int, ...]

Shape of the ensemble.

property transpose: bool

Reverse the order of propagation and transmission.