From b11d8fa5af168cfed6d14a145c6663e12f16bc7d Mon Sep 17 00:00:00 2001 From: Douwe Schulte Date: Tue, 14 Nov 2023 11:30:38 +0100 Subject: [PATCH] Add some comments on glycan code --- src/shared/glycan.rs | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/shared/glycan.rs b/src/shared/glycan.rs index c93fc77..8134564 100644 --- a/src/shared/glycan.rs +++ b/src/shared/glycan.rs @@ -790,6 +790,9 @@ pub enum GlycanSubstituent { Water, } +// TODO: Points from mobiusklein in rusteomics/mzcore/pull/2 +// * Remove the numbers from the names where already covered by the parsing code +// * Add an additional level which defines the leaving group, to make the chemical formula difference easier const POSTFIX_SUBSTITUENTS: &[(&str, GlycanSubstituent)] = &[ ("Ac", GlycanSubstituent::Acetyl), ("Ala2Ac", GlycanSubstituent::AcetylAlanyl), @@ -801,7 +804,7 @@ const POSTFIX_SUBSTITUENTS: &[(&str, GlycanSubstituent)] = &[ ("Fo", GlycanSubstituent::Formyl), ("Gc", GlycanSubstituent::Glycolyl), ("Gln2Ac", GlycanSubstituent::AcetylGlutaminyl), - ("5Glu2Me", GlycanSubstituent::MethylGlutamyl), // TODO: Does this number has to be there? (Not found in the glycosmos data) + ("5Glu2Me", GlycanSubstituent::MethylGlutamyl), ("Gly", GlycanSubstituent::Glycyl), ("Gr", GlycanSubstituent::Glyceryl), ("Gr2,3Me2", GlycanSubstituent::DiMethylGlyceryl),