On 11/14/2013 09:54 AM, Dimitri Maziuk wrote: > Yeah well. I saw that OBIsotopeTable looks like there must be one per > element and I saw one "isotab" extern global and grep didn't show when > or where it's initialized. Those things put together didn't make sense.
And now that I looked again with fresh eyes I see that OBIsotopeTable is a vector of vectors of pairs, not just a vector of pairs. I'd still not do it that way, but at least the global sort of makes sense now. (I'd make an isotope/mass vector a member of OBElement instead of its "mass Atomic mass (in amu)", but that's just me.) -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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