diffpy.pdfgui package

GUI for PDF simulation and structure refinement.

Subpackages

• diffpy.pdfgui.icons package
• diffpy.pdfgui.gui package
  • diffpy.pdfgui.gui.design package
  • diffpy.pdfgui.gui.wxextensions package
• diffpy.pdfgui.applications package
• diffpy.pdfgui.control package

Submodules

diffpy.pdfgui.utils module

Small shared routines: numericStringSort – sort list of strings according to numeric value safeCPickleDumps – same as pickle.dumps, but safe for NaN and Inf

diffpy.pdfgui.utils.asunicode(s)

Convert string or bytes object to a text type.

diffpy.pdfgui.utils.numericStringSort(lst)

Sort list of strings inplace according to general numeric value. Each string gets split to string and integer segments to create keys for comparison. Signs, decimal points and exponents are ignored.

lst – sorted list of strings

No return value to highlight inplace sorting.

diffpy.pdfgui.utils.safeCPickleDumps(obj)

Get pickle representation of an object possibly containing NaN or Inf. By default it uses pickle.HIGHEST_PROTOCOL, but falls back to ASCII protocol 0 if there is SystemError frexp() exception.

obj – object to be pickled

Return pickle string.

diffpy.pdfgui.tui module

Text user interface - utilities for extracting data from project files.

class diffpy.pdfgui.tui.LoadProject(filename=None)

Bases: object

Load and access data in pdfgui project file.

Protected instance data:

_project – instance of PDFGuiControl with loaded project file.

getCalculations(fits=None)

Return list of all calculations contained in specified fits.

fits – optional list of Fitting objects that own datasets.

When not specified, get datasets from all fits defined in the project.

Return list of Calculation objects.

getDataSets(fits=None)

Return a list of all datasets contained in specified fits.

fits – optional list of Fitting objects that own datasets.

When not specified, get datasets from all fits defined in the project.

Return list of FitDataSet objects.

getDopings(datasets=None)

Extract doping values from a list of datasets.

datasets – optional list of FitDataSet objects. When not

specified, doping values are extracted from all datasets in the project.

Return list of floating point values. The list may contain None-s for datasets with undefined doping.

getFits()

Get all fits defined in the project file.

Return list of Fitting objects.

getPhases(fits=None)

Collect all phases contained in specified fits.

fits – optional list of Fitting objects that own datasets.

When not specified, get phases from all fits defined in the project.

Return list of FitStructure objects.

getTemperatures(datasets=None)

Extract temperatures from a list of datasets.

datasets – optional list of FitDataSet objects. When not

specified, temperatures are extracted from all datasets in the project.

Return list of floating point values. The list may contain None-s for datasets with undefined temperature.

load(filename)

Load a project.

filename – path to PDFgui project file.

No return value.

save(filename)

Save the project.

filename – path where to write the PDFgui project.

No return value.