2.10.1. prismatique.tilt.series

series(sample_specification, mean_beam_energy=80, tilt_params=None, skip_validation_and_conversion=False)[source]

Determine the beam tilt series in the HRTEM simulation from a subset of the simulation parameters.

For additional context on beam tilts, see the documentation for the class prismatique.tilt.Params.

Parameters:
sample_specificationprismatique.sample.ModelParams | prismatique.sample.PotentialSliceSubsetIDs

The simulation parameters specifying the sample model.

If sample_specification is of the type prismatique.sample.ModelParams, then sample_specifications specifies sample model parameters that are used to construct the model from scratch, i.e. the potential slices for each frozen phonon configuration subset are calculated from said model parameters. See the documentation for the classes prismatique.discretization.Params and prismatique.thermal.Params for discussions on potential slices and frozen phonon configuration subsets respectively. Note that of parameters stored in sample_specification, only the following are used:

  • sample_specification

    • atomic_coords_filename

    • unit_cell_tiling

    • discretization_params

      • sample_supercell_reduced_xy_dims_in_pixels

      • interpolation_factors

Otherwise, if sample_specification is an instance of the class prismatique.sample.PotentialSliceSubsetIDs then sample_specification specifies a set of files, where each file stores the pre-calculated potential slices for a frozen phonon configuration subset. See the documentation for the aforementioned class for a further discussion on specifying pre-calculated potential slices.

mean_beam_energyfloat, optional

The mean electron beam energy \(E\) in units of keV. Must be positive.

tilt_paramsprismatique.tilt.Params | None, optional

The simulation parameters related to the beam tilt series in the HRTEM simulation to model a set of spatially coherent HRTEM experiments at different beam tilts, or to model a single spatially incoherent HRTEM beam. See the documentation for the class prismatique.tilt.Params for a discussion on said parameters. If tilt_params is set to None [i.e. the default value], then the aforementioned simulation parameters are set to default values.

skip_validation_and_conversionbool, optional

If skip_validation_and_conversion is set to False, then validations and conversions are performed on the above parameters.

Otherwise, if skip_validation_and_conversion is set to True, no validations and conversions are performed on the above parameters. This option is desired primarily when the user wants to avoid potentially expensive validation and/or conversion operations.

Returns:
tilt_seriesarray_like (float, shape=(num_tilts, 2))

If we let num_tilts be the number of beam tilts, then tilt_series[i][0] and tilt_series[i][1] are the beam tilt angles along the \(x\)- and \(y\)-axes respectively for the i th beam tilt in units of mrad, where 0<=i<num_tilts.