On Wed, Oct 13, 2010 at 11:47 AM, Geoffrey Hutchison
<ge...@geoffhutchison.net> wrote:
>> I'm getting a segfault on MSVC when I delete a pointer to an
>> OBForceField (or indeed an OBOp). But this should work okay right?
>
> No. These are static unique objects. We don't delete formats or other plugins
> either.
>
>> The reason I'm doing this is that I want to create a new pff that is
>> wiped clean of previous calculations.
>
> This should happen as soon as you call setup on a new molecule.
Alternatively, you can call MakeNewInstance if you'd like to have a
new FF for each use, e.g.
OBForceField *pff =OBForceField::FindForceField("MMFF94");
becomes
OBForceField *pff =OBForceField::FindForceField("MMFF94")->MakeNewInstance();
Dave
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