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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