Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- added unit test to demonstrate the bug
- Loading branch information
Showing
2 changed files
with
70 additions
and
0 deletions.
There are no files selected for viewing
30 changes: 30 additions & 0 deletions
30
src/test/data/cml/(1R)-1-aminoethan-1-ol-malformedDictRef.cml
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,30 @@ | ||
<?xml version="1.0" ?> | ||
<cml> | ||
<MDocument> | ||
<MChemicalStruct> | ||
<!-- A very simple molecule to test bug 1275 | ||
- when dictRef is incomplete it should not throw an exception | ||
--> | ||
<molecule molID="m1"> | ||
<atomArray> | ||
<atom id="a1" elementType="C" | ||
x2="-1.3200000524520874" y2="-1.815000057220459"/> | ||
<atom id="a2" elementType="N" | ||
x2="0.013679069375948316" y2="-2.585000057220459"/> | ||
<atom id="a3" elementType="C" | ||
x2="-2.6536791742801227" y2="-2.5850000572204594"/> | ||
<atom id="a4" elementType="O" | ||
x2="-1.3200000524520874" y2="-0.27500005722045895"/> | ||
</atomArray> | ||
<bondArray> | ||
<bond atomRefs2="a1 a2" order="1"/> | ||
<bond atomRefs2="a1 a4" order="1"> | ||
<!-- the dictRef is incomplete and should not be used --> | ||
<bondStereo dictRef="cml:">W</bondStereo> | ||
</bond> | ||
<bond atomRefs2="a1 a3" order="1"/> | ||
</bondArray> | ||
</molecule> | ||
</MChemicalStruct> | ||
</MDocument> | ||
</cml> |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters