![]() ![]() These functions are meant to be imported and added to a FitContribution using Where f(r) is the nanoparticle characteristic function and ![]() ![]() These are used to calculate the attenuation of the PDF due to a finite size.įor a crystal-like nanoparticle, one can calculate the PDF via Periodicity, in which case this will have no effect on theĭ module ¶įorm factors (characteristic functions) used in PDF nanoshape fitting. periodic – The structure should be treated as periodic (default True). name – A name to give to the managed ParameterSet that adapts stru (default “phase”). The resulting ParameterSet will be managed by this generator. See those classes (located in ) for how they are ObjCrystMoleculeParSet that adapts stru to a ParameterSet interface. This creates a DiffpyStructureParSet, ObjCrystCrystalParSet or Set the structure that will be used to calculate the PDF. setStructure ( stru, name='phase', periodic=True ) ¶ Raises ValueError for unknown scattering type. ScatteringFactorTable.getRegisteredTypes(). stype – “X” for x-ray, “N” for neutron, “E” for electrons, or any registered type from diffpy.srreal from Note that some structures do not support periodicity, in This can be used to share the phase between multipleīasePDFGenerators, and have the changes in one reflect inĪnother. parset – A SrRealParSet that holds the structural information. ObjCrystCrystalParSet or ObjCrystMoleculeParSet that adapts a structure Set the phase directly with a DiffpyStructureParSet, Set the phase that will be used to calculate the PDF. ![]()
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