New term proposal : isotopolog_atom_frac

[mslarae13]

New term details For us to assess a new term request we require the following details:

Term name -  atom fraction of isotopolog
Structured comment name - isotopolog_atom_frac
Definition - The fraction of heavy-labelled atoms out of all atoms of a given element in the isotopolog
Expected value - value
Value syntax - {float}
Example - 0.99 or 0.99 | 0.95
Preferred unit - percent
Package(s) - new checklist term applicable to all packages / extensions

Additional context Add any other context about the new term here.

multi_valued = true

comment, order needs to match how compounds are listed in isotopolog

[simpso91]

Term name - atom percent of isotopologue Structured comment name - isotopolog_atom_per Definition - The percentage of heavy-labelled atoms out of all atoms of a given element in the isotopologue Expected value - value Value syntax - {float} % Example - 98% or 98% | undefined Preferred unit -percent

[mslarae13]

can this be multivalued? @simpso91 Does order matter?

[simpso91]

Yes, it can be multivalued and the order should be the same as isotopologue!

[mslarae13]

@simpso91 changing this one to fraction as well?

isotopolog_atom_frac

Term name - atom fraction of isotopolog Structured comment name - isotopolog_atom_fraction Definition - The fraction of heavy-labelled atoms out of all atoms of a given element in the isotopolog Expected value - value (unit?) Value syntax - {float} Example - .5 or .05% | .9% Preferred unit - value Package(s) - new checklist term applicable to all packages / extensions

[simpso91]

Yes, this one should also change to fraction! Structed comment name - isotopolog_atom_frac The expected value is unitless and is between 0 and 1. The examples should not include '%' values anymore: 0.99 or 0.99 | 0.95 .