I think the cast to int should be cast to long for
OBStereo.NoRef and OBStereo.ImplicitRef
I would like to compare config.refs elements to OBStereo.NoRef
or OBStereo.ImplicitRef, but these come up as -1 and -2 in python/swig.
Here's an example.
slim:~ tj$ cat atest.py
import openbabel as ob
mol = ob.OBMol()
conv = ob.OBConversion()
conv.SetInFormat('smi')
conv.ReadString(mol,'Br/C=C/Cl')
stereoData = ob.toCisTransStereo(mol.GetData(ob.StereoData))
config = stereoData.GetConfig()
print 'CisTrans'
print config.begin
print config.end
print config.refs
print [int(r) for r in config.refs]
print config.shape
print config.specified
print ob.OBStereo.NoRef, ob.OBStereo.ImplicitRef
slim:~ tj$
slim:~ tj$
slim:~ tj$ python atest.py
CisTrans
1
2
(0L, 4294967294L, 3L, 4294967294L)
[0, 4294967294, 3, 4294967294]
1
True
-1 -2
slim:~ tj$
slim:~ tj$
slim:~ tj$ egrep 'NoRef|ImplicitRef'
~/Documents/openbabel/openbabel-2.3.2/scripts/python/openbabel-python.cpp
SWIG_Python_SetConstant(d, "OBStereo_NoRef",SWIG_From_int(static_cast<
int >(OpenBabel::OBStereo::NoRef)));
SWIG_Python_SetConstant(d,
"OBStereo_ImplicitRef",SWIG_From_int(static_cast< int
>(OpenBabel::OBStereo::ImplicitRef)));
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