ketcher-core
Version:
Web-based molecule sketcher
44 lines (43 loc) • 2.73 kB
TypeScript
import type { Atom as MicromoleculesAtom } from "../../domain/entities/atom";
import { SGroupAttachmentPoint } from "../../domain/entities/sGroupAttachmentPoint";
import type { Struct } from "../../domain/entities/struct";
import type { DrawingEntitiesManager } from "../../domain/entities/DrawingEntitiesManager";
import { type ReStruct } from "../render/restruct";
import type { BaseMonomer } from "../../domain/entities/BaseMonomer";
import { MonomerMicromolecule } from "../../domain/entities/monomerMicromolecule";
import { Command } from "../../domain/entities/Command";
import type { PolymerBond } from "../../domain/entities/PolymerBond";
import type { AttachmentPointName } from "../../domain/types";
import type { MonomerToAtomBond } from "../../domain/entities/MonomerToAtomBond";
import type { Atom } from "../../domain/entities/CoreAtom";
export declare class MacromoleculesConverter {
static convertMonomerToMonomerMicromolecule(monomer: BaseMonomer, struct: Struct): MonomerMicromolecule;
private static addMonomerAtomToStruct;
static convertAttachmentPointNameToNumber(attachmentPointName: AttachmentPointName): number;
static findAttachmentPointAtom(polymerBond: PolymerBond | MonomerToAtomBond, monomer: BaseMonomer, monomerToAtomIdMap: Map<BaseMonomer, Map<number, number>>): {
attachmentAtomId: undefined;
attachmentPointNumber: undefined;
globalAttachmentAtomId?: undefined;
} | {
globalAttachmentAtomId: number | false | undefined;
attachmentAtomId: number | false;
attachmentPointNumber: number;
};
static convertMonomerAttachmentPointsToSGroupAttachmentPoints(monomer: BaseMonomer, atomIdsMap?: Map<number, number>): SGroupAttachmentPoint[];
static convertDrawingEntitiesToStruct(drawingEntitiesManager: DrawingEntitiesManager, struct: Struct, reStruct?: ReStruct): {
struct: Struct;
reStruct: ReStruct | undefined;
conversionErrorMessage: string;
};
private static convertMonomerMicromoleculeToMonomer;
private static convertFragmentToChem;
static getAttachmentPointLabel(atom: MicromoleculesAtom): string;
static getFragmentsGroupedBySgroup(struct: Struct): number[][];
static findAtomByMicromoleculeAtomId(drawingEntitiesManager: DrawingEntitiesManager, atomId: number, monomer?: BaseMonomer): Atom | undefined;
static convertStructToDrawingEntities(struct: Struct, drawingEntitiesManager: DrawingEntitiesManager): {
drawingEntitiesManager: DrawingEntitiesManager;
modelChanges: Command;
fragmentIdToMonomer: Map<number, BaseMonomer>;
fragmentIdToAtomIdMap: Map<number, Map<number, number>>;
};
}