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Backmerge: #5753 - Fixed issue with tail normalization when moving #5806

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merged 2 commits into from
Oct 18, 2024
Merged

Backmerge: #5753 - Fixed issue with tail normalization when moving #5806

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cdada70
#5753: Fixed issue with tail normalization when moving
daniil-sloboda Oct 17, 2024
3c4be79
#5753 - fixed typo
daniil-sloboda Oct 18, 2024
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11 changes: 11 additions & 0 deletions packages/ketcher-core/src/application/ketcher.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -263,6 +263,17 @@ export class Ketcher {
return getStructure(format, this.#formatterFactory, this.#editor.struct());
}

getRdf(molfileFormat: MolfileFormat = 'v2000'): Promise<string> {
if (window.isPolymerEditorTurnedOn) {
throw new Error('SDF format is not available in macro mode');
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Is there a typo here? Should it be RDF instead of SDF?

}
const format =
molfileFormat === 'v2000'
? SupportedFormat.rdf
: SupportedFormat.rdfV3000;
return getStructure(format, this.#formatterFactory, this.#editor.struct());
}

getCDXml(): Promise<string> {
if (window.isPolymerEditorTurnedOn) {
throw new Error('CDXML format is not available in macro mode');
Expand Down
23 changes: 17 additions & 6 deletions packages/ketcher-core/src/domain/entities/multitailArrow.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -481,20 +481,27 @@ export class MultitailArrow extends BaseMicromoleculeEntity {
normalizeTailPosition(
proposedPosition: FixedPrecisionCoordinates,
tailId: number,
): FixedPrecisionCoordinates {
): FixedPrecisionCoordinates | null {
const proposedPositionFloatingPrecision =
proposedPosition.getFloatingPrecision();
const getDistanceToTailDistance = (tailDistance: TailDistance): number =>
Math.abs(tailDistance.center - proposedPositionFloatingPrecision) -
tailDistance.distance / 2;

const tailsWithoutCurrent = Array.from(this.tailsYOffset.entries())
.filter(([key]) => key !== tailId)
.map(([_, value]) => value);
const tailMinDistance = this.getTailsDistance(tailsWithoutCurrent)
.filter((item) => MultitailArrow.canAddTail(item.distance))
.sort(
(a, b) =>
Math.abs(a.center - proposedPositionFloatingPrecision) -
Math.abs(b.center - proposedPositionFloatingPrecision),
(a, b) => getDistanceToTailDistance(a) - getDistanceToTailDistance(b),
)
.at(0) as TailDistance;
.at(0);

if (!tailMinDistance) {
return null;
}

const positionCenter = FixedPrecisionCoordinates.fromFloatingPrecision(
tailMinDistance.center,
);
Expand Down Expand Up @@ -568,7 +575,11 @@ export class MultitailArrow extends BaseMicromoleculeEntity {
),
);
if (normalize) {
updatedHeight = this.normalizeTailPosition(updatedHeight, second);
const result = this.normalizeTailPosition(updatedHeight, second);
if (result === null) {
return originalValue.getFloatingPrecision();
}
updatedHeight = result;
}

const realOffset = updatedHeight.sub(originalValue);
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