On 12/29/2016 02:35 PM, Peter S. Shenkin wrote: > Dimitri, > > You were the one who suggested that all the structural depictions be > generated. > > I, in contrast, suggested that only the ones users need to look at need be > generated. I further suggested that these would only constitute a small > fraction of those in a large DB.
My objection was to using numbers like > ... for 92877507 > structures (current size PubChem Compound): > 1s per structure = 1074 days (~3 years) > 100 ms per structure = 107 days > 1ms per structure = 25 hours as if they actually mean something. I responded that *if* the requirement is to generate all 100M depictions, making the code faster on a single CPU core is rarely the cost-effective solution. That was a purely academic "if" because I don't believe that regenerating all the depictions at once on a regular basis is a realistic use case, either. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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