Ok, I'm quite certain there is a double free problem there.
If I allocate OBConversion on the heap and never delete it I can get
through without a segfault. If OBConversion is deleted at the end or if
it were allocated on the stack there is a segfault.
But if I never delete it there is a memory le
I have eventually committed formats that use the NIH Resolver via the
web to read trivial and systematic names and InChIKeys, and to write
IUPAC names. See the previous discussion:
http://forums.openbabel.org/Converting-from-compound-names-in-OpenBabel-td4170258.html
. I have tried to incorporat
I ran the same on a 2.3.0 version of OB which was not stripped and there
the backtrace points to the line 261 in obconversion.cpp:
if(pInStream && NeedToFreeInStream) {
delete pInStream; here
pInStream=NULL;
NeedToFreeInStream = false;
}
I wonder if this has
> > I don't have any problem with reading or writing RXN. I hope the cause
> > of your trouble turns up.
> > >
Me too. Do you know who the author of OBReaction is by any chance?
I am just curious if I'm doing anything wrong here.
This is OB 2.3.1 as it comes with Fedora 15.
According to the bac
Bugs item #3537207, was opened at 2012-06-22 09:07
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Bugs item #3537203, was opened at 2012-06-22 08:55
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Hi Noel,
On Fri, Jun 22, 2012 at 4:01 AM, Noel O'Boyle wrote:
> Now added in r4898. Option "S" for read or write gives former 2.3.1
> behaviour.
>
> "obabel -:C/C=C/Cl -omol" still includes a warning message as follows:
>
> *** Open Babel Warning in OpenBabel::MDLFormat::WriteMolecule
> No 2D
Now added in r4898. Option "S" for read or write gives former 2.3.1 behaviour.
"obabel -:C/C=C/Cl -omol" still includes a warning message as follows:
*** Open Babel Warning in OpenBabel::MDLFormat::WriteMolecule
No 2D or 3D coordinates exist. Stereochemical information will be stored using
an
