ketcher-core
Version:
Web-based molecule sketcher
45 lines (44 loc) • 2.86 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 { ReSGroup } from "../../application/render";
import { Atom } from './atom';
import { Bond } from './bond';
import { Pool } from './pool';
import { SGroup } from './sgroup';
import { Struct } from './struct';
import { HalfBond } from './halfBond';
export declare class FunctionalGroup {
#private;
constructor(sgroup: SGroup);
get name(): string;
get relatedSGroupId(): number;
get isExpanded(): boolean;
get relatedSGroup(): SGroup;
static isFunctionalGroup(sgroup: any): boolean;
static atomsInFunctionalGroup(functionalGroups: any, atom: any, isNeedCheckForGroups?: boolean): number | null;
static bondsInFunctionalGroup(molecule: any, functionalGroups: any, bond: any): number | null;
static isRGroupAttachmentPointInsideFunctionalGroup(molecule: Struct, id: number): number | null;
static findFunctionalGroupByAtom(functionalGroups: Pool<FunctionalGroup>, atomId: number): number | null;
static findFunctionalGroupByAtom(functionalGroups: Pool<FunctionalGroup>, atomId: number, isFunctionalGroupReturned: true): FunctionalGroup | null;
static findFunctionalGroupByBond(molecule: Struct, functionalGroups: Pool<FunctionalGroup>, bondId: number | null): number | null;
static findFunctionalGroupByBond(molecule: Struct, functionalGroups: Pool<FunctionalGroup>, bondId: number | null, isFunctionalGroupReturned: true): FunctionalGroup | null;
static findFunctionalGroupBySGroup(functionalGroups: Pool<FunctionalGroup>, sGroup?: SGroup): FunctionalGroup | undefined;
static clone(functionalGroup: FunctionalGroup): FunctionalGroup;
static isAtomInContractedFunctionalGroup(atom: Atom, sgroups: any, functionalGroups: any, sgroupsFromReStruct: boolean): boolean;
static isBondInContractedFunctionalGroup(bond: Bond, sGroups: Map<number, ReSGroup> | Pool<SGroup>, functionalGroups: Pool<FunctionalGroup>): boolean;
static isHalfBondInContractedFunctionalGroup(halfBond: HalfBond, struct: Struct): boolean;
static isContractedFunctionalGroup(sgroup: any, functionalGroups: any): boolean;
}