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#2636 – Unable to contract or expand Unknown Superatoms that are pars…
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…ed via API in MolV3000, KET, CDX, CDXML, CML, Base64CDX formats (#2641)
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Nitvex authored May 22, 2023
1 parent 5ce9871 commit 67959e0
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6 changes: 3 additions & 3 deletions package-lock.json

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Original file line number Diff line number Diff line change
Expand Up @@ -19,6 +19,7 @@ import {
FunctionalGroup,
Pile,
Pool,
SGroup,
Struct,
Vec2
} from 'domain/entities'
Expand Down Expand Up @@ -133,7 +134,7 @@ class ReStruct {
if (item.type === 'DAT' && !item.data.attached) {
this.sgroupData.set(id, new ReDataSGroupData(item))
} // [MK] sort of a hack, we use the SGroup id for the data field id
if (FunctionalGroup.isFunctionalGroup(item)) {
if (FunctionalGroup.isFunctionalGroup(item) || SGroup.isSuperAtom(item)) {
this.molecule.functionalGroups.set(id, new FunctionalGroup(item))
}
})
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