While this will give you a non-null Point3d object from getPoint3d(),
it is still not a sensible approach as you're dealing with molecules
that have had 3D structures generated for them.
I prefer that the program crashes and makes the user wonder what is the problem
On Tue, May 18, 2010 at 4:56 PM, Egon Willighagen
<egon.willigha...@gmail.com> wrote:
> On Tue, May 18, 2010 at 8:50 PM, JEAN MARC NUZILLARD
> <jm.nuzill...@univ-reims.fr> wrote:
>> So, what is the solution?
>
> Lovely corner case. Not uncommon though :)
>
> Solution:
>
> MDLV2000Reader reader = new MDLV2000Reader(ins);
> Properties prop = new Properties();
> prop.setProperty("ForceReadAs3DCoordinates","true");
> PropertiesListener listener = new PropertiesListener(prop);
> reader.addChemObjectIOListener(listener);
> reader.customizeJob();
>
> See the CDK News article for more details about IO settings.
>
> Grtz,
>
> Egon
>
> --
> Post-doc @ Uppsala University
> Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
> Homepage: http://egonw.github.com/
> Blog: http://chem-bla-ics.blogspot.com/
> PubList: http://www.citeulike.org/user/egonw/tag/papers
>
--
Rajarshi Guha
NIH Chemical Genomics Center
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