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PandasTools.RGroupDecompositionToFrame() should call ChangeMoleculeRendering() #5702

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greglandrum opened this issue Oct 28, 2022 · 0 comments · Fixed by #5703
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PandasTools.RGroupDecompositionToFrame() should call ChangeMoleculeRendering() #5702

greglandrum opened this issue Oct 28, 2022 · 0 comments · Fixed by #5703
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@greglandrum
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bug
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2022_09_2

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Describe the bug
At the moment you have to do this extra step manually. RGroupDecompositionToFrame() should behave like LoadSDF()

Configuration (please complete the following information):

  • RDKit version: 2022.09.1 and master
  • OS: all
@greglandrum greglandrum self-assigned this Oct 28, 2022
@greglandrum greglandrum added this to the 2022_09_2 milestone Oct 28, 2022
greglandrum added a commit to greglandrum/rdkit that referenced this issue Oct 28, 2022
@greglandrum
Fixes rdkit#5702
bb999c3
@greglandrum greglandrum mentioned this issue Oct 28, 2022
Merged
greglandrum added a commit that referenced this issue Oct 28, 2022
@greglandrum
Fix invocation of pytest (#5703)
91074a0 
* Fixes #5702

* stop invoking pytest using a deprecated approach

* fix a typo

* set max jinja2 version
greglandrum added a commit that referenced this issue Nov 23, 2022
@greglandrum
Fix invocation of pytest (#5703)
b6e2465 
* Fixes #5702

* stop invoking pytest using a deprecated approach

* fix a typo

* set max jinja2 version
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Fix invocation of pytest greglandrum/rdkit
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