[Cdk-devel] [ cdk-Patches-3403750 ] Unit test for S.anyl atom type

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Patches item #3403750, was opened at 2011-09-03 14:06
Message generated for change (Comment added) made by rajarshi
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Category: cdk-1.4.x
>Group: Accepted
>Status: Closed
>Resolution: Accepted
Priority: 5
Private: No
Submitted By: Egon Willighagen (egonw)
Assigned to: Nobody/Anonymous (nobody)
Summary: Unit test for S.anyl atom type

Initial Comment:
It is working. It's a structure (hydrogen depleted) from PubChem (search with the InChI).

The reason for this patch is that the S atom type patch by the Asad team makes it fail, as detected with another, already existing unit test using a SMILES string. This one is more basic, and probably easier to debug.

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>Comment By: Rajarshi Guha (rajarshi)
Date: 2011-09-05 17:25

Message:
Looks good. Applied and pushed

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