If you (ab)use ErrorMolecule to keep or add garbage into your future blockbuster drug molecule set, it is your own problem. And if you rely on the correctness of a SD file reader of any software as part of your quality assurance in your drug pipeline process, I am quite positive, you do something wrong.
On Sun, May 3, 2015 at 7:04 PM, Dimitri Maziuk <dmaz...@bmrb.wisc.edu> wrote: > On 2015-05-03 03:56, Markus Sitzmann wrote: >> No, "cutting out a chunk of lines from a file" might be simple, but >> can become an expensive operation if you want to deal with thousands >> of files and million of records. > > *If you have the line numbers* it's something like "head | tail" or a > 2-line for loop w/ line counter. > > If it's not a one-off and your upstream keeps generating junk, the > proper solution is to "have a talk" with them. > > The worst possible solution is to happily generate a garbage molecule > that will blow up user's entire downstream pipeline. *If they're lucky* > -- most likely it'll be garbage in - garbage out and crap happily flows > on to the next stage. If ErrorMolecule "is a" Molecule that will happen. > > I most emphatically do not want to take any drug developed using that > kind of software quality assurance and error control procedures. Or have > any new material developed like that anywhere near my bike, car, or > diving gear. And so on. > > Dimitri > > > ------------------------------------------------------------------------------ > One dashboard for servers and applications across Physical-Virtual-Cloud > Widest out-of-the-box monitoring support with 50+ applications > Performance metrics, stats and reports that give you Actionable Insights > Deep dive visibility with transaction tracing using APM Insight. > http://ad.doubleclick.net/ddm/clk/290420510;117567292;y > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ One dashboard for servers and applications across Physical-Virtual-Cloud Widest out-of-the-box monitoring support with 50+ applications Performance metrics, stats and reports that give you Actionable Insights Deep dive visibility with transaction tracing using APM Insight. http://ad.doubleclick.net/ddm/clk/290420510;117567292;y _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
