ketcher-core
Version:
Web-based molecule sketcher
52 lines (51 loc) • 2.08 kB
TypeScript
/****************************************************************************
* Copyright 2021 EPAM Systems
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
***************************************************************************/
import { Struct } from "../../entities";
declare type Mapping = {
[key in number]: number;
};
interface ParseCTFileProps {
molfileLines: string[];
shouldReactionRelayout?: boolean;
ignoreChiralFlag?: boolean;
}
export declare class Molfile {
molecule: Struct | null;
molfile: string | null;
reaction: boolean;
mapping: Mapping;
bondMapping: Mapping;
constructor();
parseCTFile(props: ParseCTFileProps): any;
prepareSGroups(skipErrors: boolean, preserveIndigoDesc?: boolean): void;
getCTab(molecule: Struct, rgroups?: Map<any, any>): string;
saveMolecule(molecule: Struct, skipSGroupErrors: boolean, norgroups?: boolean, preserveIndigoDesc?: boolean): string;
writeHeader(): void;
write(str: string): void;
writeCR(str?: string): void;
writeWhiteSpace(length?: number): void;
writePadded(str: string, width: number): void;
writePaddedNumber(number: number, width: number): void;
writePaddedFloat(number: string | number, width: number, precision: number): void;
writeCTab2000Header(): void;
writeCTab2000(rgroups?: Map<any, any>): void;
private writeAtom;
private writeBond;
private writeAtomProps;
private writeAtomPropList;
private writeSGroupAttachmentPointLine;
}
export {};