[Cdk-devel] [ cdk-Patches-3030167 ] Addition of a missing atom type: N.oxide

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Patches item #3030167, was opened at 2010-07-15 14:11
Message generated for change (Comment added) made by rajarshi
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Category: cdk-1.2.x
>Group: Accepted
>Status: Closed
>Resolution: Accepted
Priority: 5
Private: No
Submitted By: Egon Willighagen (egonw)
Assigned to: Nobody/Anonymous (nobody)
Summary: Addition of a missing atom type: N.oxide

Initial Comment:
Fixing parsing of this SMILES created with OpenBabel (reported in June 2010 on cdk-devel).

Fixes bug in cdk-1.2.x and has unit test: needs one review.

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>Comment By: Rajarshi Guha (rajarshi)
Date: 2010-07-22 08:57

Message:
Aah, OK. Looks good then. Applied and pushed

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Comment By: Egon Willighagen (egonw)
Date: 2010-07-18 08:37

Message:
The charged-separated version is already covered by existing atom types.

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Comment By: Rajarshi Guha (rajarshi)
Date: 2010-07-18 08:31

Message:
Looks good - but if you're incorporating amine oxides wouldn't it be  a
good idea to also include the charge separated form as well?

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