ketcher-react 2.2.0 → 2.3.2

package/dist/script/chem/molfile/parseSGroup.d.ts

@@ -1,42 +0,0 @@
-declare namespace _default {
-    export { readKeyValuePairs };
-    export { readKeyMultiValuePairs };
-    export { loadSGroup };
-    export { initSGroup };
-    export { applySGroupProp };
-    export { applySGroupArrayProp };
-    export { applyDataSGroupName };
-    export { applyDataSGroupQuery };
-    export { applyDataSGroupQueryOp };
-    export { applyDataSGroupDesc };
-    export { applyDataSGroupInfo };
-    export { applyDataSGroupData };
-    export { applyDataSGroupInfoLine };
-    export { applyDataSGroupDataLine };
-}
-export default _default;
-/**
- * @param str { string }
- * @param valueString { boolean }
- * @returns { Pool }
- */
-declare function readKeyValuePairs(str: string, valueString: boolean): Pool;
-/**
- * @param str { string }
- * @param valueString { boolean }
- * @returns { Array }
- */
-declare function readKeyMultiValuePairs(str: string, valueString: boolean): any[];
-declare function loadSGroup(mol: any, sg: any, atomMap: any): any;
-declare function initSGroup(sGroups: any, propData: any): void;
-declare function applySGroupProp(sGroups: any, propName: any, propData: any, numeric: any, core: any): void;
-declare function applySGroupArrayProp(sGroups: any, propName: any, propData: any, shift: any): void;
-declare function applyDataSGroupName(sg: any, name: any): void;
-declare function applyDataSGroupQuery(sg: any, query: any): void;
-declare function applyDataSGroupQueryOp(sg: any, queryOp: any): void;
-declare function applyDataSGroupDesc(sGroups: any, propData: any): void;
-declare function applyDataSGroupInfo(sg: any, propData: any): void;
-declare function applyDataSGroupData(sg: any, data: any, finalize: any): void;
-declare function applyDataSGroupInfoLine(sGroups: any, propData: any): void;
-declare function applyDataSGroupDataLine(sGroups: any, propData: any, finalize: any): void;
-import Pool from "../../util/pool";

package/dist/script/chem/molfile/utils.d.ts

@@ -1,66 +0,0 @@
-declare namespace _default {
-    export { fmtInfo };
-    export { paddedNum };
-    export { parseDecimalInt };
-    export { partitionLine };
-    export { partitionLineFixed };
-    export { rxnMerge };
-}
-export default _default;
-declare namespace fmtInfo {
-    const bondTypeMap: {
-        1: number;
-        2: number;
-        3: number;
-        4: number;
-        5: number;
-        6: number;
-        7: number;
-        8: number;
-    };
-    const bondStereoMap: {
-        0: number;
-        1: number;
-        4: number;
-        6: number;
-        3: number;
-    };
-    const v30bondStereoMap: {
-        0: number;
-        1: number;
-        2: number;
-        3: number;
-    };
-    const bondTopologyMap: {
-        0: number;
-        1: number;
-        2: number;
-    };
-    const countsLinePartition: number[];
-    const atomLinePartition: number[];
-    const bondLinePartition: number[];
-    const atomListHeaderPartition: number[];
-    const atomListHeaderLength: number;
-    const atomListHeaderItemLength: number;
-    const chargeMap: number[];
-    const valenceMap: (number | undefined)[];
-    const implicitHydrogenMap: (number | undefined)[];
-    namespace v30atomPropMap {
-        const CHG: string;
-        const RAD: string;
-        const MASS: string;
-        const VAL: string;
-        const HCOUNT: string;
-        const INVRET: string;
-        const SUBST: string;
-        const UNSAT: string;
-        const RBCNT: string;
-    }
-    const rxnItemsPartition: number[];
-}
-declare function paddedNum(number: any, width: any, precision: any): any;
-declare function parseDecimalInt(str: any): number;
-declare function partitionLine(str: any, parts: any, withspace: any): any[];
-declare function partitionLineFixed(str: any, itemLength: any, withspace: any): any[];
-declare function rxnMerge(mols: any, nReactants: any, nProducts: any, nAgents: any, shouldReactionRelayout: any): Struct;
-import Struct from "../struct";

package/dist/script/chem/molfile/v2000.d.ts

@@ -1,10 +0,0 @@
-declare namespace _default {
-    export { parseCTabV2000 };
-    export { parseRg2000 };
-    export { parseRxn2000 };
-}
-export default _default;
-declare function parseCTabV2000(ctabLines: any, countsSplit: any): Struct;
-declare function parseRg2000(ctabLines: any): Struct;
-declare function parseRxn2000(ctabLines: any, shouldReactionRelayout: any): Struct;
-import Struct from "../struct";

package/dist/script/chem/molfile/v3000.d.ts

@@ -1,10 +0,0 @@
-declare namespace _default {
-    export { parseCTabV3000 };
-    export { readRGroups3000 };
-    export { parseRxn3000 };
-}
-export default _default;
-declare function parseCTabV3000(ctabLines: any, norgroups: any): Struct;
-declare function readRGroups3000(ctab: any, ctabLines: any): void;
-declare function parseRxn3000(ctabLines: any, shouldReactionRelayout: any): Struct;
-import Struct from "../struct";

package/dist/script/chem/sdf.d.ts

@@ -1,10 +0,0 @@
-declare namespace _default {
-    export { stringify };
-    export { parse };
-}
-export default _default;
-declare function stringify(items: any, options: any): any;
-declare function parse(str: any, options: any): {
-    struct: any;
-    props: {};
-}[];

package/dist/script/chem/smiles/cis_trans.d.ts

@@ -1,25 +0,0 @@
-export default CisTrans;
-declare function CisTrans(mol: any, neighborsFunc: any, context: any): void;
-declare class CisTrans {
-    constructor(mol: any, neighborsFunc: any, context: any);
-    molecule: any;
-    bonds: Pool<any>;
-    getNeighbors: any;
-    context: any;
-    each(func: any): void;
-    getParity(idx: any): any;
-    getSubstituents(idx: any): any;
-    sameside(beg: any, end: any, neiBeg: any, neiEnd: any): 0 | 1 | -1;
-    samesides(iBeg: any, iEnd: any, iNeiBeg: any, iNeiEnd: any): 0 | 1 | -1;
-    sortSubstituents(substituents: any): boolean;
-    isGeomStereoBond(bondIdx: any, substituents: any): boolean;
-    build(excludeBonds: any): void;
-}
-declare namespace CisTrans {
-    namespace PARITY {
-        const NONE: number;
-        const CIS: number;
-        const TRANS: number;
-    }
-}
-import Pool from "../../util/pool";

package/dist/script/chem/smiles/dfs.d.ts

@@ -1,53 +0,0 @@
-export default Dfs;
-/****************************************************************************
- * Copyright 2020 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.
- ***************************************************************************/
-declare function Dfs(mol: any, atomData: any, components: any, nReactants: any): void;
-declare class Dfs {
-    /****************************************************************************
-     * Copyright 2020 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.
-     ***************************************************************************/
-    constructor(mol: any, atomData: any, components: any, nReactants: any);
-    molecule: any;
-    atom_data: any;
-    components: any;
-    nComponentsInReactants: number;
-    nReactants: any;
-    vertices: any[];
-    edges: any[];
-    v_seq: any[];
-    walk(): void;
-    edgeClosingCycle(eIdx: any): boolean;
-    numBranches(vIdx: any): any;
-    numOpeningCycles(eIdx: any): any;
-    toString(): string;
-}
-declare namespace Dfs {
-    function VertexDesc(): void;
-    function EdgeDesc(): void;
-    function SeqElem(vIdx: any, parVertex: any, parEdge: any): void;
-}

package/dist/script/chem/smiles/index.d.ts

@@ -1,5 +0,0 @@
-declare namespace _default {
-    function stringify(struct: any, options: any): string;
-    function stringify(struct: any, options: any): string;
-}
-export default _default;

package/dist/script/chem/smiles/stereocenters.d.ts

@@ -1,26 +0,0 @@
-export default Stereocenters;
-declare function Stereocenters(mol: any, neighborsFunc: any, context: any): void;
-declare class Stereocenters {
-    constructor(mol: any, neighborsFunc: any, context: any);
-    molecule: any;
-    atoms: Pool<any>;
-    getNeighbors: any;
-    context: any;
-    each(func: any, context: any): void;
-    buildFromBonds(ignoreErrors: any): void;
-    buildOneCenter(atomIdx: any): void;
-    getBondStereo(centerIdx: any, edgeIdx: any): any;
-}
-declare namespace Stereocenters {
-    const allowed_stereocenters: {
-        elem: string;
-        charge: number;
-        degree: number;
-        n_double_bonds: number;
-        implicit_degree: number;
-    }[];
-    function xyzzy(v1: any, v2: any, u: any): 1 | 8 | 2 | 4;
-    function sign(v1: any, v2: any, v3: any): 1 | -1;
-    function isPyramidMappingRigid(mapping: any): boolean;
-}
-import Pool from "../../util/pool";

package/dist/script/chem/struct/atom.d.ts

@@ -1,66 +0,0 @@
-export function radicalElectrons(radical: any): void | 0 | 1 | 2;
-export default Atom;
-declare function Atom(params: any): void;
-declare class Atom {
-    constructor(params: any);
-    label: any;
-    fragment: any;
-    valence: number;
-    implicitH: number;
-    pp: Vec2;
-    sgs: Pile;
-    atomList: AtomList | null;
-    /** @type {number[]} */
-    neighbors: number[];
-    badConn: boolean;
-    clone(fidMap: Map<number, number>): Atom;
-    isQuery(): any;
-    pureHydrogen(): boolean;
-    isPlainCarbon(): boolean;
-    isPseudo(): boolean;
-    hasRxnProps(): boolean;
-    calcValence(conn: any): boolean;
-    calcValenceMinusHyd(conn: any): any;
-}
-declare namespace Atom {
-    function getAttrHash(atom: any): {};
-    function attrGetDefault(attr: any): any;
-    namespace PATTERN {
-        namespace RADICAL {
-            const NONE: number;
-            const SINGLET: number;
-            const DOUPLET: number;
-            const TRIPLET: number;
-        }
-        namespace STEREO_PARITY {
-            const NONE_1: number;
-            export { NONE_1 as NONE };
-            export const ODD: number;
-            export const EVEN: number;
-            export const EITHER: number;
-        }
-    }
-    namespace attrlist {
-        const alias: null;
-        const label: string;
-        const isotope: number;
-        const radical: number;
-        const charge: number;
-        const explicitValence: number;
-        const ringBondCount: number;
-        const substitutionCount: number;
-        const unsaturatedAtom: number;
-        const hCount: number;
-        const atomList: null;
-        const invRet: number;
-        const exactChangeFlag: number;
-        const rglabel: null;
-        const attpnt: null;
-        const aam: number;
-        const stereoLabel: null;
-        const stereoParity: number;
-    }
-}
-import Vec2 from "../../util/vec2";
-import Pile from "../../util/pile";
-import AtomList from "./atomlist";

package/dist/script/chem/struct/atomlist.d.ts

@@ -1,10 +0,0 @@
-export default AtomList;
-declare function AtomList(params: any): void;
-declare class AtomList {
-    constructor(params: any);
-    notList: any;
-    ids: any;
-    labelList(): string[];
-    label(): string;
-    equals(x: any): boolean;
-}

package/dist/script/chem/struct/bond.d.ts

@@ -1,72 +0,0 @@
-export default Bond;
-declare function Bond(params: any): void;
-declare class Bond {
-    constructor(params: any);
-    begin: any;
-    end: any;
-    type: any;
-    xxx: any;
-    stereo: any;
-    topology: any;
-    reactingCenterStatus: any;
-    hb1: any;
-    hb2: any;
-    len: number;
-    sb: number;
-    sa: number;
-    angle: number;
-    center: Vec2;
-    hasRxnProps(): boolean;
-    getCenter(struct: any): Vec2;
-    getDir(struct: any): any;
-    clone(aidMap: Map<number, number>): Bond;
-}
-declare namespace Bond {
-    namespace PATTERN {
-        namespace TYPE {
-            const SINGLE: number;
-            const DOUBLE: number;
-            const TRIPLE: number;
-            const AROMATIC: number;
-            const SINGLE_OR_DOUBLE: number;
-            const SINGLE_OR_AROMATIC: number;
-            const DOUBLE_OR_AROMATIC: number;
-            const ANY: number;
-        }
-        namespace STEREO {
-            const NONE: number;
-            const UP: number;
-            const EITHER: number;
-            const DOWN: number;
-            const CIS_TRANS: number;
-        }
-        namespace TOPOLOGY {
-            const EITHER_1: number;
-            export { EITHER_1 as EITHER };
-            export const RING: number;
-            export const CHAIN: number;
-        }
-        namespace REACTING_CENTER {
-            const NOT_CENTER: number;
-            const UNMARKED: number;
-            const CENTER: number;
-            const UNCHANGED: number;
-            const MADE_OR_BROKEN: number;
-            const ORDER_CHANGED: number;
-            const MADE_OR_BROKEN_AND_CHANGED: number;
-        }
-    }
-    namespace attrlist {
-        import type = SINGLE;
-        export { type };
-        import stereo = NONE;
-        export { stereo };
-        import topology = EITHER;
-        export { topology };
-        import reactingCenterStatus = UNMARKED;
-        export { reactingCenterStatus };
-    }
-    function getAttrHash(bond: any): {};
-    function attrGetDefault(attr: any): any;
-}
-import Vec2 from "../../util/vec2";

package/dist/script/chem/struct/fragment.d.ts

@@ -1,50 +0,0 @@
-export default Fragment;
-/****************************************************************************
- * Copyright 2020 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.
- ***************************************************************************/
-declare function Fragment(flag?: any): void;
-declare class Fragment {
-    /****************************************************************************
-     * Copyright 2020 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.
-     ***************************************************************************/
-    constructor(flag?: any);
-    stereoAtoms: any[];
-    enhancedStereoFlag: any;
-    clone(aidMap: any): Fragment;
-    updateStereoFlag(struct: any, flag?: boolean): any;
-    updateStereoAtom(struct: any, aid: any, isAdd: any): void;
-}
-declare namespace Fragment {
-    namespace STEREO_FLAG {
-        export const Mixed: string;
-        export const abs: string;
-        export const and: string;
-        export const or: string;
-        const _null: null;
-        export { _null as null };
-    }
-}

package/dist/script/chem/struct/index.d.ts

@@ -1,137 +0,0 @@
-export default Struct;
-/** @returns {import('ketcher-core').Struct} */
-export function Struct(): import('ketcher-core').Struct;
-export class Struct {
-    atoms: Pool<any>;
-    bonds: Pool<any>;
-    sgroups: Pool<any>;
-    /** @type {Pool<HalfBond>} */
-    halfBonds: Pool<HalfBond>;
-    loops: Pool<any>;
-    isReaction: boolean;
-    rxnArrows: Pool<any>;
-    rxnPluses: Pool<any>;
-    frags: Pool<any>;
-    rgroups: Pool<any>;
-    name: string;
-    sGroupForest: SGroupForest;
-    simpleObjects: Pool<any>;
-    hasRxnProps(): number | null;
-    hasRxnArrow(): boolean;
-    isBlank(): boolean;
-    clone(atomSet?: any, bondSet?: any, dropRxnSymbols?: boolean | undefined, aidMap?: Map<number, number> | null | undefined, simpleObjectsSet?: any): Struct;
-    getScaffold(): Struct;
-    getFragmentIds(fid: any): Pile;
-    getFragment(fid: any): Struct;
-    mergeInto(cp: import('ketcher-core').Struct, atomSet?: any, bondSet?: any, dropRxnSymbols?: boolean | undefined, keepAllRGroups?: boolean | undefined, aidMap?: Map<number, number> | undefined, simpleObjectsSet?: any): import('ketcher-core').Struct;
-    findBondId(begin: number, end: number): number | null;
-    initNeighbors(): void;
-    bondInitHalfBonds(bid: any, bond: any): void;
-    halfBondUpdate(hbid: any): void;
-    initHalfBonds(): void;
-    setHbNext(hbid: any, next: any): void;
-    halfBondSetAngle(hbid: any, left: any): void;
-    atomAddNeighbor(hbid: any): void;
-    atomSortNeighbors(aid: any): void;
-    sortNeighbors(list: any): void;
-    atomUpdateHalfBonds(aid: any): void;
-    updateHalfBonds(list: any): void;
-    sGroupsRecalcCrossBonds(): void;
-    sGroupDelete(sgid: any): void;
-    atomSetPos(id: any, pp: any): void;
-    rxnPlusSetPos(id: any, pp: any): void;
-    rxnArrowSetPos(id: any, pp: any): void;
-    simpleObjectSetPos(id: any, pos: any): void;
-    getCoordBoundingBox(atomSet?: any): any;
-    getCoordBoundingBoxObj(): null;
-    getBondLengthData(): {
-        cnt: number;
-        totalLength: number;
-    };
-    getAvgBondLength(): number;
-    getAvgClosestAtomDistance(): number;
-    checkBondExists(begin: any, end: any): boolean;
-    findConnectedComponent(firstaid: number): any;
-    findConnectedComponents(discardExistingFragments: any): any[];
-    markFragment(idSet: any): void;
-    markFragments(): void;
-    scale(scale: any): void;
-    rescale(): void;
-    loopHasSelfIntersections(hbs: any): boolean;
-    partitionLoop(loop: any): any[];
-    halfBondAngle(hbid1: any, hbid2: any): number;
-    loopIsConvex(loop: any): any;
-    loopIsInner(loop: any): boolean;
-    findLoops(): {
-        newLoops: Array<number>;
-        bondsToMark: Array<number>;
-    };
-    prepareLoopStructure(): void;
-    atomAddToSGroup(sgid: number, aid: number): void;
-    calcConn(atom: any): [number, boolean];
-    calcImplicitHydrogen(aid: any): void;
-    setImplicitHydrogen(list: any): void;
-    getComponents(): {
-        reactants: Array<Pile<number>>;
-        products: Array<Pile<number>>;
-    };
-    defineRxnFragmentTypeForAtomset(atomset: any, arrowpos: number): 1 | 2;
-    getBondFragment(bid: number): number;
-}
-import Atom from "./atom";
-import AtomList from "./atomlist";
-import Bond from "./bond";
-import Fragment from "./fragment";
-import SGroup from "./sgroup";
-import SGroupForest from "./sgforest";
-import RGroup from "./rgroup";
-export function RxnPlus(params: any): void;
-export class RxnPlus {
-    constructor(params: any);
-    pp: Vec2;
-    clone(): RxnPlus;
-}
-export function RxnArrow(params: any): void;
-export class RxnArrow {
-    constructor(params: any);
-    pp: Vec2;
-    clone(): RxnArrow;
-}
-import { SimpleObject } from "./simpleObject";
-import { SimpleObjectMode } from "./simpleObject";
-import Pool from "../../util/pool";
-/**
- * @param begin [ number }
- * @param end { number }
- * @param bid { number }
- * @constructor
- */
-declare function HalfBond(begin: any, end: number, bid: number, ...args: any[]): void;
-declare class HalfBond {
-    /**
-     * @param begin [ number }
-     * @param end { number }
-     * @param bid { number }
-     * @constructor
-     */
-    constructor(begin: any, end: number, bid: number, ...args: any[]);
-    begin: any;
-    end: number;
-    bid: number;
-    dir: Vec2;
-    norm: Vec2;
-    ang: number;
-    p: Vec2;
-    loop: number;
-    contra: number;
-    next: number;
-    leftSin: number;
-    leftCos: number;
-    leftNeighbor: number;
-    rightSin: number;
-    rightCos: number;
-    rightNeighbor: number;
-}
-import Pile from "../../util/pile";
-import Vec2 from "../../util/vec2";
-export { Atom, AtomList, Bond, Fragment, SGroup, SGroupForest, RGroup, SimpleObject, SimpleObjectMode };

package/dist/script/chem/struct/rgroup.d.ts

@@ -1,19 +0,0 @@
-export default RGroup;
-declare function RGroup(logic: any): void;
-declare class RGroup {
-    constructor(logic: any);
-    frags: Pile;
-    resth: any;
-    range: any;
-    ifthen: any;
-    getAttrs(): {
-        resth: any;
-        range: any;
-        ifthen: any;
-    };
-    clone(fidMap: Map<number, number>): RGroup;
-}
-declare namespace RGroup {
-    function findRGroupByFragment(rgroups: any, frid: number): any;
-}
-import Pile from "../../util/pile";

package/dist/script/chem/struct/sgforest.d.ts

@@ -1,42 +0,0 @@
-/****************************************************************************
- * Copyright 2020 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 { SGroupForest as ISGroupForest } from 'ketcher-core';
-declare class SGroupForest implements ISGroupForest {
-    /** node id -> parent id */
-    parent: Map<number, number>;
-    /** node id -> list of child ids */
-    children: Map<number, number[]>;
-    atomSets: Map<number, any>;
-    constructor();
-    /** returns an array or s-group ids in the order of breadth-first search */
-    getSGroupsBFS(): number[];
-    getAtomSetRelations(newId: any, atoms: any): {
-        children: number[];
-        parent: number;
-    };
-    getPathToRoot(sgid: any): number[];
-    insert({ id, atoms }: {
-        id: any;
-        atoms: any;
-    }, parent?: number, children?: number[]): {
-        parent: number;
-        children: number[];
-    };
-    private resetParentLink;
-    remove(id: any): void;
-}
-export declare function checkOverlapping(struct: any, atoms: any): boolean;
-export default SGroupForest;