Skip to content
Snippets Groups Projects
Commit cfaf33d6 authored by Alexander Rose's avatar Alexander Rose
Browse files

also look for 4 and 7 member sugar rings

parent e24c76d2
No related branches found
No related tags found
No related merge requests found
......@@ -22,7 +22,12 @@ import { UnitRings, UnitRing } from '../unit/rings';
import { ElementIndex } from '../../model/indexing';
const C = ElementSymbol('C'), O = ElementSymbol('O');
const SugarRingFps = [UnitRing.elementFingerprint([C, C, C, C, C, O]), UnitRing.elementFingerprint([C, C, C, C, O])]
const SugarRingFps = [
UnitRing.elementFingerprint([C, C, C, O]),
UnitRing.elementFingerprint([C, C, C, C, O]),
UnitRing.elementFingerprint([C, C, C, C, C, O]),
UnitRing.elementFingerprint([C, C, C, C, C, C, O]),
]
function getAnomericCarbon(unit: Unit.Atomic, ringAtoms: ArrayLike<StructureElement.UnitIndex>): ElementIndex {
let indexHasTwoOxygen = -1, indexHasOxygenAndCarbon = -1, indexHasC1Name = -1, indexIsCarbon = -1
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment