DEMutilities.postprocessing.analysistools.spatial. structurefactor

Module that provides fast structure factor computation for any given array of positions.

In order to be able to use this module import it like this:

import DEMutilities.postprocessing.analysistools.spatial.structurefactor
#or assign it to a shorter name
import DEMutilities.postprocessing.analysistools.spatial.structurefactor as str

StructureFactor

class DEMutilities.postprocessing.analysistools.spatial.structurefactor.StructureFactor(pre_factor=1.0, max_proj=1.7976931348623157e+308, verbose=False)

Bases: object

Compute the structure factor for a given set of positions, based on normalized wave vectors ‘k’ and wave numbers ‘q’. See also documentation of mpacts.commands.misc.structurefactor.ComputeStructureFactorCommand for more information about the actual structure factor computation.

StructureFactor(name, parent, **kwargs)
compute_structure_factor(k, qval)
compute_structure_factor_array(x, k_array, q_array, weights=None)
set_array(x, weights=None)