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test: use filename string instead of pathlib.Path to fix tests using diffpy.structure #128

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Merged
merged 2 commits into from
Aug 4, 2025
Merged

test: use filename string instead of pathlib.Path to fix tests using diffpy.structure #128

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0752ce9
test: use filename string instead of pathlib.Path to fix tests using …
ycexiao Aug 4, 2025
685e8d5
chore: rename `ciffile` to `cif_path`
ycexiao Aug 4, 2025
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23 changes: 23 additions & 0 deletions news/use-string-in-structure
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Original file line number Diff line number Diff line change
@@ -0,0 +1,23 @@
**Added:**

* No news added: Use filename string instead of pathlib.Path to fix the test using ``diffpy.structure``.

**Changed:**

* <news item>

**Deprecated:**

* <news item>

**Removed:**

* <news item>

**Fixed:**

* <news item>

**Security:**

* <news item>
5 changes: 4 additions & 1 deletion tests/test_pdf.py
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Expand Up @@ -160,6 +160,7 @@ def testGenerator(

stru = PDFFitStructure()
ciffile = datafile("ni.cif")
ciffile = str(ciffile)
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@sbillinge sbillinge Aug 4, 2025

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let's change the variable name to cif_path.

Please can you also make an issue on diffpy.structure to have loadStructure accept pathlib.Path or string, i.e., any valid path object.?

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@ycexiao ycexiao Aug 4, 2025

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Please can you also make an issue on diffpy.structure to have loadStructure accept pathlib.Path or string, i.e., any valid path object.?

Yes, there was already an issue diffpy/diffpy.structure#124

stru.read(ciffile)
for i in range(4):
stru[i].Bisoequiv = 1
Expand Down Expand Up @@ -298,7 +299,9 @@ def test_pickling(

pc = PDFContribution("pdf")
pc.loadData(datafile("ni-q27r100-neutron.gr"))
ni = loadStructure(datafile("ni.cif"))
ciffile = datafile("ni.cif")
ciffile = str(ciffile)
ni = loadStructure(ciffile)
ni.Uisoequiv = 0.003
pc.addStructure("ni", ni)
pc.setCalculationRange(0, 10)
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