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#4973 - Connection between molecule and monomer lost after opening an…
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…d saving to ket

- fixed monomer atoms ids mapping during struct clone
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rrodionov91 committed Jul 3, 2024
1 parent 98d6c08 commit ce018cb
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Showing 2 changed files with 8 additions and 3 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -30,13 +30,18 @@ export class MonomerMicromolecule extends SGroup {
return { position: this.pp, atomId: sgroupContractedPosition.atomId };
}

public static clone(monomerMicromolecule: MonomerMicromolecule) {
public static clone(
monomerMicromolecule: MonomerMicromolecule,
atomIdMap?: Map<number, number>,
) {
const monomerMicromoleculeClone = new MonomerMicromolecule(
monomerMicromolecule.type,
monomerMicromolecule.monomer,
);
monomerMicromoleculeClone.pp = monomerMicromolecule.pp;
monomerMicromoleculeClone.atoms = monomerMicromolecule.atoms;
monomerMicromoleculeClone.atoms = atomIdMap
? monomerMicromolecule.atoms.map((elem) => atomIdMap.get(elem))
: monomerMicromolecule.atoms;

return monomerMicromoleculeClone;
}
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2 changes: 1 addition & 1 deletion packages/ketcher-core/src/domain/entities/struct.ts
Original file line number Diff line number Diff line change
Expand Up @@ -293,7 +293,7 @@ export class Struct {

sg =
oldSgroup instanceof MonomerMicromolecule
? MonomerMicromolecule.clone(oldSgroup)
? MonomerMicromolecule.clone(oldSgroup, aidMap!)
: SGroup.clone(sg, aidMap!);

const id = cp.sgroups.add(sg);
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