hexrd.wppf.parameters module

class hexrd.wppf.parameters.Parameter(name=None, vary=False, value=0.0, lb=-inf, ub=inf)[source]

Bases: object

>> @AUTHOR: Saransh Singh, Lawrence Livermore National Lab, saransh1@llnl.gov >> @DATE: 05/18/2020 SS 1.0 original >> @DETAILS: the parameters class (previous one) is a collection of this

parameter class indexed by the name of each variable

property max

property min

property name

property value

property vary

class hexrd.wppf.parameters.Parameters(name=None, vary=False, value=0.0, lb=-inf, ub=inf)[source]

Bases: object

>> @AUTHOR: Saransh Singh, Lanwrence Livermore National Lab,: saransh1@llnl.gov

>> @DATE: 05/18/2020 SS 1.0 original >> @DETAILS: this is the parameter class which handles all refinement parameters

for both the Rietveld and the LeBail refimentment problems

add(name, vary=False, value=0.0, lb=-inf, ub=inf)[source]: >> @AUTHOR: Saransh Singh, Lawrence Livermore National Lab, saransh1@llnl.gov >> @DATE: 05/18/2020 SS 1.0 original >> @DETAILS: add a single named parameter

add_many(names, varies, values, lbs, ubs)[source]: >> @AUTHOR: Saransh Singh, Lawrence Livermore National Lab, saransh1@llnl.gov >> @DATE: 05/18/2020 SS 1.0 original >> @DETAILS: load a list of named parameters

dump(fname)[source]: >> @AUTHOR: Saransh Singh, Lawrence Livermore National Lab, saransh1@llnl.gov >> @DATE: 05/18/2020 SS 1.0 original >> @DETAILS: dump the class to a yaml looking file. name is the key and the list

has [value, lb, ub, vary] in that order

dump_hdf5(file)[source]: >> @AUTHOR: Saransh Singh, Lawrence Livermore National Lab, saransh1@llnl.gov >> @DATE: 01/15/2021 SS 1.0 original >> @DETAILS: dump the class to a hdf5 file. the file argument could either be a

string or a h5.File instance. If it is a filename, then HDF5 file is created, a parameter group is created and data is written out with data names being the parameter name. Else data written to Parameter group in existing file object

load(fname)[source]: >> @AUTHOR: Saransh Singh, Lawrence Livermore National Lab, saransh1@llnl.gov >> @DATE: 05/18/2020 SS 1.0 original >> @DETAILS: load parameters from yaml file