New term proposal : isotopolog_atom_pos

[mslarae13]

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

Term name - set of labeled atoms in isotopologue
Structured comment name - isotopolog_atom_pos
Definition -  InChI label designating set of all isotopically enriched atoms in isotopologue
Expected value - InCHI label or "undefined"
Value syntax - {termLabel} {[termID]}|{text}
Example - 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1  or undefined or 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1  | undefined
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 - Set of labeled atoms in isotopologue Structured comment name - isotopolog_atom_pos Definition - InChI label designating set of all isotopically enriched atoms in isotopologue Expected value - InCHI label or "undefined" Value syntax - {termLabel} {[termID]}|{text} Example - 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1  or undefined or 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1  | undefined Preferred unit - NA

[mslarae13]

@simpso91 can this be multi-valued? Does order matter?

[simpso91]

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