On Thu, Jan 26, 2012 at 5:16 AM, JP <[email protected]> wrote:
> This begs a couple of more questions...
>
> - Are the flushes required when writing to a non compressed/zipped file?

they should not be (I have fixed a bug or two in this area in the
past). Having said that: it certainly never hurts to call flush.

> - Should the call to the flush method be mentioned in, say,
> http://www.rdkit.org/docs/api/rdkit.Chem.rdmolfiles.SDWriter-class.html

the method is described. What I think you're asking is whether or not
it should be part of the documentation about how to use the class.
There: I don't think so. The idea is that the flush() method should
not be necessary.

> - Is it sensible to have a .close() method in SDWriter which does both for
> you?

I think there is one:
http://www.rdkit.org/docs/api/rdkit.Chem.rdmolfiles.SDWriter-class.html#close

> - Does
> the http://www.rdkit.org/Python_Docs/rdkit.Chem.rdmolfiles.SDMolSupplier-class.html page
> need a gzip example like the writer one?

I don't think so, that class doesn't support the gzip reads; you have
to use a ForwardSDMolSupplier to use gzips, and that class
documentation does have an example.

-greg

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