diffpy.morph.morph_helpers package

List of helpers for certain morphing operations (currently only used for smear).

Submodules

diffpy.morph.morph_helpers.transformpdftordf module

class TransformXtalPDFtoRDF – Transform crystal PDFs to RDFs.

class diffpy.morph.morph_helpers.transformpdftordf.TransformXtalPDFtoRDF(config=None)

Bases: Morph

Transform crystal PDFs to RDFs.

Converts both morph data and target data PDFs to RDFs.

Configuration variables:

baselineslope – The slope of the PDF baseline. With the perfect scale,

the baseline slope is equal to -4*pi*rho0, where rho0 is the density of the crystalline sample.

With s = baselineslope, R(r) = r * (G(r) - r * s)

morph(x_morph, y_morph, x_target, y_target)

Return corresponding RDF given PDF.

parnames = ['baselineslope']

summary = 'Turn the PDF into the RDF for both the morph and target'

xinlabel = 'r (A)'

xoutlabel = 'r (A)'

yinlabel = 'G (1/A^2)'

youtlabel = 'R (1/A)'

diffpy.morph.morph_helpers.transformrdftopdf module

class TransformXtalRDFtoPDF – Transform crystal RDFs to PDFs.

class diffpy.morph.morph_helpers.transformrdftopdf.TransformXtalRDFtoPDF(config=None)

Bases: Morph

Transform crystal RDFs to PDFs.

Converts both morph data and target data RDFs to PDFs.

Configuration variables:

baselineslope – The slope of the PDF baseline. With the perfect scale,

the baseline slope is equal to -4*pi*rho0, where rho0 is the density of the crystalline sample.

With s = baselineslope, G(r) = R(r) / r + r * s

morph(x_morph, y_morph, x_target, y_target)

Return corresponding PDF given RDF.

parnames = ['baselineslope']

summary = 'Turn the PDF into the RDF for both the morph and target'

xinlabel = 'r (A)'

xoutlabel = 'r (A)'

yinlabel = 'R (1/A)'

youtlabel = 'G (1/A^2)'