On 11/18/2013 03:20 PM, Dimitri Maziuk wrote: > 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.
I meant to put a zero or two between the "." and "49" ... -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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