I would get rlist quite the same way. This is what I have - no crashes,
though I don't iterate over the atoms quite like you do:
vector<OBRing*> vr = mol.GetSSSR();
for (vector<OBRing*>::iterator iter = vr.begin(); iter != vr.end();
iter++)
{
num_rings++;
if ((*iter)->IsAromatic())
num_aromatic++;
if ((*iter)->Size() < 8)
Num_Rings[(*iter)->Size()]++;
}
On Fri, 2012-05-04 at 19:30 -0400, Craig James wrote:
> Can anyone tell me why this code crashes? It's copied almost verbatim
> from the OpenBabel OBRing API page.
>
> Note: I wasn't sure if the "mol->GetSSSR()" call was needed before
> calling mol->GetData("RingList"), so I added it to be sure. The man
> page wasn't clear about this.
>
> Thanks,
> Craig
>
> mol->GetSSSR();
>
> vector<OBRing*>::iterator ri;
> vector<int>::iterator j;
> vector<OBRing*> *rlist = (vector<OBRing*>*)mol->GetData("RingList");
> for (ri = rlist->begin(); ri != rlist->end(); ++ri) {
>
> for (j = (*ri)->_path.begin(); j != (*ri)->_path.end(); ++j ) {
> OBAtom *atom = mol->GetAtom(*j); // <<<<<===== crashes
> here, pointer j is NULL
> ...
> }
> }
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