Good question; I will have to look at the code tomorrow morning to see if I
can figure out what that was meant to do. It is most likely for the
keepConformer argument - by not storing conformers it's possible to save a
fair amount of disk space and speed up searches.
-greg
On Sunday, February 23, 2014, Jan Holst Jensen <[email protected]>
wrote:
> Hi,
>
> Working on mol_to_ctab() I checked mol_from_ctab() to see how it works.
>
> mol_from_ctab() has this definition
>
> CREATE OR REPLACE FUNCTION mol_from_ctab(cstring,bool default false)
>
> but in the implementation in rdkit_io.c the boolean parameter is never
> used. What was the intention ? I guess to control the keepConformer or
> warnOnFail boolean later on - but which one ?
>
> Cheers
> -- Jan
>
>
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