debyepdfpgenerator.py

Author: cadenmyers13

src/diffpy/cmipdf/debyepdfgenerator.py

@@ -96,13 +96,13 @@ def set_structure(self, structure, name="phase", periodic=False):
 
         Parameters
         ----------
-        structure
-            diffpy.structure.Structure, pyobjcryst.crystal.Crystal or
-            pyobjcryst.molecule.Molecule instance.  Default None.
-        name
+        structure : Structure object
+            The `diffpy.structure.Structure`, `pyobjcryst.crystal.Crystal` or
+            `pyobjcryst.molecule.Molecule` instance.
+        name : str, optional
             A name to give to the managed ParameterSet that adapts structure
             (default "phase").
-        periodic
+        periodic : bool, optional
             The structure should be treated as periodic (default
             False). Note that some structures do not support
             periodicity, in which case this will have no effect on the
@@ -120,12 +120,12 @@ def set_structure_from_parset(self, parset, periodic=False):
 
         Parameters
         ----------
-        parset
-            A SrRealParSet that holds the structural information.
+        parset : SrealParSet object
+            The SrRealParSet that holds the structural information.
             This can be used to share the phase between multiple
             BasePDFGenerators, and have the changes in one reflect in
             another.
-        periodic
+        periodic : bool, optional
             The structure should be treated as periodic (default True).
             Note that some structures do not support periodicity, in
             which case this will be ignored.

tests/test_pdf.py

@@ -25,7 +25,8 @@
 from diffpy.cmipdf import PDFContribution, PDFGenerator
 from diffpy.srfit.exceptions import SrFitError
 from diffpy.srfit.fitbase import ProfileParser
-from diffpy.structure import Structure, loadStructure
+from diffpy.srreal.pdfcalculator import PDFCalculator
+from diffpy.structure import PDFFitStructure, Structure, loadStructure
 
 # ----------------------------------------------------------------------------
 
@@ -145,14 +146,6 @@ def testParser2(datafile):
 def testGenerator(
     diffpy_srreal_available, diffpy_structure_available, datafile
 ):
-    if not diffpy_structure_available:
-        pytest.skip("diffpy.structure package not available")
-    if not diffpy_srreal_available:
-        pytest.skip("diffpy.srreal package not available")
-
-    from diffpy.srreal.pdfcalculator import PDFCalculator
-    from diffpy.structure import PDFFitStructure
-
     qmax = 27.0
     gen = PDFGenerator()
     gen.set_scattering_type("N")