On Fri, May 4, 2012 at 6:03 PM, Igor Filippov wrote:
>
> 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 vr = mol.GetSSSR();
>
> for (vector::iterator iter = vr.begin(); iter != vr.end();
> iter++)
>
> From:
> Igor Filippov
>
>To:
> Craig James
>Cc:
> openbabel-devel@lists.sourceforge.net
> Subject:
> Re: [OpenBabel-Devel] Crash on ring
> iterator
>
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 vr = mol.GetSSSR();
for (vector::iterator iter = vr.begin(); iter != vr.end();
iter++)
{
num_rings++;
if ((*iter)->IsAromatic())
num
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->Ge
I just checked in a simple but important change to canon.cpp. It's been a
long time since I worked on this stuff and the canon.cpp file is completely
rewritten, so if someone familiar with this file could check it, I'd
appreciate it. Here's the SVN comment:
"Fixed a bug in CalcCanonicalLabels():
