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> RUE DES JEUNES 1 | CASE POSTALE 239 | CH-1211 GENEVE 8
>
> --
> *De :* Greg Landrum
> *Envoyé :* jeudi 13 octobre 2016 11:24
> *À :* Guillaume GODIN
> *Cc :* rdkit-discuss@lists.sourceforge.net
>
> *Objet :* Re: [Rdkit
jet : Re: [Rdkit-discuss] adding MORSE & RDF to 3D descriptors
ha! that was a fun one.
The compile guards at in RDF.h:
https://github.com/thegodone/rdkit/blob/master/Code/GraphMol/Descriptors/RDF.h#L44
and MORSE.h:
https://github.com/thegodone/rdkit/blob/master/Code/GraphMol/Descriptors/MORSE.h#L44
ar
1211 GENEVE 8
De : Greg Landrum
Envoyé : jeudi 13 octobre 2016 11:24
À : Guillaume GODIN
Cc : rdkit-discuss@lists.sourceforge.net
Objet : Re: [Rdkit-discuss] adding MORSE & RDF to 3D descriptors
ha! that was a fun one.
The compile guards at in RDF.h:
h
um
> *Envoyé :* jeudi 13 octobre 2016 10:40
> *À :* Guillaume GODIN; rdkit-discuss@lists.sourceforge.net
> *Objet :* Re: [Rdkit-discuss] adding MORSE & RDF to 3D descriptors
>
> Guillaume,
>
> I'm not sure if this is everything, but you definitely need to put an
> #if
t
Objet : Re: [Rdkit-discuss] adding MORSE & RDF to 3D descriptors
Guillaume,
I'm not sure if this is everything, but you definitely need to put an
#ifdef RDK_BUILD_DESCRIPTORS3D
block around the definition of MORSEs and RDFs in the Python wrapper code.
-greg
On Thu, Oct 13, 2016 at 10:25
Guillaume,
I'm not sure if this is everything, but you definitely need to put an#ifdef
RDK_BUILD_DESCRIPTORS3Dblock around the definition of MORSEs and RDFs in the
Python wrapper code.
-greg
On Thu, Oct 13, 2016 at 10:25 AM +0200, "Guillaume GODIN"
wrote:
Dear All,
Dear All,
I trying to expose in python two vector of 3D descriptors but when I compile
have got this error message
[ 96%] Built target rdMolHash
[ 96%] Building CXX object
Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o
[ 98%] Built target ChemReactions
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