Hi,
I have commented out the code that caused the compile problems.
However, I have no idea why the OBMinimizingEnergyConformerScore and
OBMinimizingRMSDConformerScore classes Geoff added were removed. Also
I added virtual destructors again but did not make them pure virtual.
I get a link error with pure virtual destructors and this is probably
the reason why they were removed. I usually just define an empty {}
implementation although I forgot in the original conformersearch.h
file.
Geoff, I'll leave it to you to decide what to do with the removed classes.
Tim
On Mon, Aug 27, 2012 at 1:41 PM, My Th <[email protected]> wrote:
> Hi, Benoit Leblanc!
>
> Your commit at r4990 deletes OBMinimizingEnergyConformerScore and
> OBMinimizingRMSDConformerScore classes and it breaks build. Also, why
> are you deleting virtual destructors introduced in r4832?
>
> >From src/ops/conformer.cpp:159:
> OBConformerSearch cs;
> if (score == "energy")
> cs.SetScore(new OBEnergyConformerScore);
> else if (score.find("mine") != std::string::npos)
> cs.SetScore(new OBMinimizingEnergyConformerScore);
> else if (score.find("minr") != std::string::npos)
> cs.SetScore(new OBMinimizingRMSDConformerScore);
>
>
> Reinis
>
>
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