On 11/18/2013 03:07 PM, Geoffrey Hutchison wrote: >> In the meantime, here's the patch -- feel free to rename "Prevalent" if > > I think my big question is why you do the loop in the GetPrevalentIsotope() method? Why not just round the mass to an integer?
There should be no perceptible difference in runtime, typically a tight loop like this would be optimized to run out of cache. Rounding doubles, on the other hand, comes with the possibility that the nearest representable value to 238.050788 is actually within 0.490000003849 amu of 238.000000 and will round the wrong way. -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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