Re: [Rdkit-discuss] strict parsing in java

[Greg Landrum]

Hi Tim,

That should be handled all the time in the new version.

The check in the code is here:
https://github.com/rdkit/rdkit/blob/master/Code/GraphMol/FileParsers/MolFileParser.cpp#L1105
and that's not part of the strictParsing coverage.

Are you sure you're using the 2016.03 release (or something built from
github master)?


On Mon, Apr 25, 2016 at 6:46 PM, Tim Dudgeon  wrote:

> I've got molfiles that have element labels all in upper case (e.g. CL
> instead of Cl).
> Parsing these fails (Element 'CL' not found).
> I notice that in the C++ and Python APIs there is a 'strictParsing'
> option that I'm hoping makes RDKit tolerant of this, but this option
> does not seem to be present in the Java API, and guess, what, that's the
> one I'm using!
> Is this possible from Java?
>
> Tim
>
>
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[Rdkit-discuss] strict parsing in java

[Tim Dudgeon]

I've got molfiles that have element labels all in upper case (e.g. CL 
instead of Cl).
Parsing these fails (Element 'CL' not found).
I notice that in the C++ and Python APIs there is a 'strictParsing' 
option that I'm hoping makes RDKit tolerant of this, but this option 
does not seem to be present in the Java API, and guess, what, that's the 
one I'm using!
Is this possible from Java?

Tim

--
Find and fix application performance issues faster with Applications Manager
Applications Manager provides deep performance insights into multiple tiers of
your business applications. It resolves application problems quickly and
reduces your MTTR. Get your free trial!
https://ad.doubleclick.net/ddm/clk/302982198;130105516;z
___
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss