[ cdk-Patches-2887276 ] valence reading optional

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Patches item #2887276, was opened at 2009-10-27 17:13
Message generated for change (Comment added) made by egonw
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Category: None
>Group: Needs Revision
Status: Open
>Resolution: None
Priority: 5
Private: No
Submitted By: Stefan Kuhn (shk3)
Assigned to: Nobody/Anonymous (nobody)
Summary: valence reading optional

Initial Comment:
   it seems there are mol files with short atom lines. Although the mdl
    spec does not say that fields are optional or so, I think we should
    support this. So I made valence reading optional (see bug #288324)

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>Comment By: Egon Willighagen (egonw)
Date: 2009-10-30 09:06

Message:
Review report:

Did you also have a patch for the unit test?

CDK IO has a mechanism for STRICT and RELAXED. The condition you describe
is the RELAXED reading, where the files are not read to the letter of the
specification... I suggest to code throws an exception when the information
is missing and in STRICT mode.


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Comment By: Stefan Kuhn (shk3)
Date: 2009-10-28 16:10

Message:
Attached an exmple. Marvin reads this, btw, so it seems to be common.

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Comment By: Egon Willighagen (egonw)
Date: 2009-10-28 16:05

Message:
Stefan, what does a full example file look like?

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