Re: [Rdkit-discuss] any want to get the current RDKit version?
Open-Source Cheminformatics and Machine Learning
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glandrum
From: Andrew D. <da...@da...> - 2010-01-25 14:53:25
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On Jan 25, 2010, at 6:29 AM, Greg Landrum wrote: > Yeah, that's an oversight. I'll add the function "version()" to > $RDBASE/rdkit/__init__.py for the release: > [1]>>> import rdkit > > [2]>>> rdkit.version() > Out[2] 'Q42009_1' Thanks. I'll add that to my code. Done. > Now I just need to remember to update that for each release... Add it to the "HowToReleaseRDKit.txt" file? Metaphorically speaking. > A question: I'm tempted to rearrange that output to the somewhat less > human readable, but correctly sortable "2009Q4_1". What do you think? I think I live in Sweden, where many things are dated YYYY-MM-DD and this would be better. I think having the quarter number and the year not next to each other is nice. So I would do it. However, nothing I do is affected by the data ordering in the string. What would be affected is distutils code. There are two versioning styles it supports, Loose and Strict. http://pydoc.org/2.5.1/distutils.version.html The RDKit number is "Loose", and those are sorted lexically. Another thing which is sorted is directory listings. For those reasons I would also switch to lexical ordering. Andrew da...@da... |