Isn't it necessary to instantiate an OBConversion object first?
On 8 November 2010 22:22, David Lonie <lonieda...@gmail.com> wrote:
> Hi OpenBabel'ers, Avogadro'ers,
>
> On Fri, Nov 5, 2010 at 12:09 PM, David Lonie <lonieda...@gmail.com> wrote:
>> On Thu, Nov 4, 2010 at 1:52 PM, Louis Ricard
>> <louis.ric...@polytechnique.edu> wrote:
>>> Hi all.
>>>
>>> I started testing the Windows installer shortly after David's message.
>>> I was puzzled by absence of forcefield entries in the extension menu,
>>
>> I'd noticed this on linux, too. I'll take a look at it and try to get
>> a new windows installer out on Monday.
>
> I've started to look into why the forcefield extension in Avogadro is
> broken on windows and linux, and there is definitely a problem in
> openbabel. For instance, the following test code produces the
> following output:
>
> d...@ez02:/tmp/fftest$ cat t.cpp
> #include <stdio.h>
> #include <openbabel/forcefield.h>
>
> using namespace std;
> using namespace OpenBabel;
>
> int main()
> {
> cout << OBForceField::FindForceField("MMFF94") << endl;
> }
>
> d...@ez02:/tmp/fftest$ g++ -I/usr/include/openbabel-2.0/ -lopenbabel t.cpp -o
> t
> d...@ez02:/tmp/fftest$ ./t
> 0
>
> So it appears that the forcefield lookup is failing. After a digging
> through OB's plugin.* for a while, I'm not any closer to finding a
> solution. Do any of the OB devs have an idea what may be going on?
> This worked fine up until a few days/weeks ago with OB trunk, so it is
> likely a recent change.
>
> Dave
>
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