update changelog and tests for PCA fix

MDAnalysis · Jan 12, 2024 · d4de910 · d4de910
1 parent 211cbcf
commit d4de910
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diff --git a/package/CHANGELOG b/package/CHANGELOG
@@ -19,6 +19,7 @@ The rules for this file:
  * 2.8.0
 
 Fixes
+ * Fix bug in PCA -- wasn't possible to use `frames=...` syntax before.
  * Fix deploy action to use the correct version of the pypi upload action.
 
 Enhancements

diff --git a/testsuite/MDAnalysisTests/analysis/test_pca.py b/testsuite/MDAnalysisTests/analysis/test_pca.py
@@ -132,6 +132,11 @@ def test_no_frames(u):
     with pytest.raises(ValueError):
         PCA(u, select=SELECTION).run(stop=1)
 
+def test_can_run_frames(u):
+    atoms = u.select_atoms(SELECTION)
+    u.transfer_to_memory()
+    PCA(u, select=SELECTION).run(frames=[0,1])
+
 
 def test_transform(pca, u):
     ag = u.select_atoms(SELECTION)