ketcher-react 3.12.0-dev.1 → 3.12.0-rc.2

package/dist/script/editor/Editor.d.ts

@@ -13,7 +13,7 @@
  * See the License for the specific language governing permissions and
  * limitations under the License.
  ***************************************************************************/
-import { Action, Atom, AtomLabel, AttachmentPointName, Editor as KetcherEditor, FloatingToolsParams, IKetMonomerTemplate, MonomerCreationState, MULTITAIL_ARROW_KEY, Render, Struct, KetMonomerClass } from 'ketcher-core';
+import { Action, Atom, AtomLabel, AttachmentPointName, Editor as KetcherEditor, FloatingToolsParams, IKetMonomerTemplate, MonomerCreationState, MULTITAIL_ARROW_KEY, Render, Struct, Vec2, KetMonomerClass, RnaPresetComponentKey } from 'ketcher-core';
 import { PipelineSubscription, Subscription } from 'subscription';
 import { Highlighter } from './highlighter';
 import { ContextMenuInfo } from '../ui/views/components/ContextMenu/contextMenu.types';
@@ -96,6 +96,7 @@ declare class Editor implements KetcherEditor {
     get monomerCreationState(): MonomerCreationState;
     private set monomerCreationState(value);
     setMonomerCreationSelectedType(type: KetMonomerClass | 'rnaPreset' | undefined): void;
+    setRnaComponentAtoms(componentKey: RnaPresetComponentKey, atomIds: number[], bondIds: number[]): void;
     get isMonomerCreationWizardActive(): boolean;
     private terminalRGroupAtoms;
     private potentialLeavingAtomsForAutoAssignment;
@@ -116,7 +117,7 @@ declare class Editor implements KetcherEditor {
     assignConnectionPointAtom(atomId: number, attachmentPointName?: AttachmentPointName, assignedAttachmentPointsByMonomer?: Map<AttachmentPointName, [
         number,
         number
-    ]>, monomerStructure?: Selection, forceAddNewLeavingGroupAtom?: boolean, leavingAtomLabel?: AtomLabel): void;
+    ]>, monomerStructure?: Selection, forceAddNewLeavingGroupAtom?: boolean, leavingAtomLabel?: AtomLabel, leavingAtomPosition?: Vec2): void;
     closeMonomerCreationWizard(restoreOriginalStruct?: boolean): void;
     saveNewMonomer(data: any): {
         monomer: import("ketcher-core").Chem | import("ketcher-core").Sugar | import("ketcher-core").Peptide | import("ketcher-core").RNABase | import("ketcher-core").Phosphate;
@@ -132,10 +133,26 @@ declare class Editor implements KetcherEditor {
     setProblematicAttachmentPoints(problematicPoints: Set<AttachmentPointName>): void;
     highlightAttachmentPoint(name: AttachmentPointName | null): void;
     findPotentialLeavingAtoms(attachmentAtomId: number): Atom[];
+    private getRnaComponentForAtom;
+    private canAssignRnaComponent;
+    /**
+     * Auto-assigns atoms to RNA preset components when new bonds are added.
+     * If one atom belongs to a component and the other doesn't belong to any,
+     * the unassigned atom (and the bond) is added to the same component.
+     */
+    private autoAssignAtomToRnaComponent;
+    private updateRnaComponentStructureState;
+    /**
+     * Adds an atom and bond to an RNA preset component and fires an event
+     * so the wizard can update its state.
+     */
+    private addAtomsAndBondsToRnaComponent;
+    private removeAtomsAndBondsFromRnaComponents;
     private subscribeToChangeEventInMonomerCreationWizard;
     private unsubscribeFromChangeEventInMonomerCreationWizard;
     private collectChangesForMonomerCreationStateInvalidation;
     private invalidateMonomerCreationWizardState;
+    setRnaMonomerCreationMode(isActive: boolean): void;
     selection(ci?: any): Selection | null;
     hover(ci: {
         id: number;

package/dist/script/editor/tool/sgroup.d.ts

@@ -24,6 +24,23 @@ declare class SGroupTool implements Tool {
     mousedown(event: any): void;
     mousemove(event: any): void;
     mouseleave(event: any): void;
+    private isContractedFunctionalGroupClicked;
+    private processSelectedAtoms;
+    private getActualSgroupId;
+    private isAtomInContractedGroup;
+    private addContractedGroupToSelection;
+    private processSelectedBonds;
+    private expandFunctionalGroupSelection;
+    private expandAtomsToFunctionalGroups;
+    private expandBondsToFunctionalGroups;
+    private collectFunctionalGroupIds;
+    private collectFunctionalGroupIdsFromAtoms;
+    private collectFunctionalGroupIdsFromBonds;
+    private shouldRemoveSingleFunctionalGroup;
+    private determineSelection;
+    private handleLassoSelection;
+    private handleClickSelection;
+    private shouldOpenDialog;
     mouseup(event: any): void;
     cancel(): void;
     static sgroupDialog(editor: Editor, id: number | null): Promise<void>;

package/dist/script/editor/utils/customOnChangeHandler.test.d.ts

@@ -0,0 +1,16 @@
+/****************************************************************************
+ * 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.
+ ***************************************************************************/
+export {};

package/dist/script/ui/data/schema/sdata-schema.d.ts

@@ -7,7 +7,7 @@
  * @param fieldName? { string }
  * @returns { string }
  */
-export function getSdataDefault(schema: {} | undefined, context: any, fieldName: any): string;
+export function getSdataDefault(schema?: {}, context?: undefined, fieldName?: undefined): string;
 export namespace sdataCustomSchema {
     const key: string;
     const title: string;

package/dist/script/ui/state/functionalGroups/index.d.ts

@@ -20,7 +20,7 @@ interface FGState {
     functionalGroupInfo: any;
     mode: string;
 }
-declare const functionalGroupsReducer: (state: FGState | undefined, { type, payload }: AnyAction) => any;
+declare const functionalGroupsReducer: (state: FGState | undefined, action: AnyAction) => any;
 export declare const initFGroups: (lib: SdfItem[]) => {
     type: string;
     payload: {

package/dist/script/ui/state/notifications/index.d.ts

@@ -0,0 +1,17 @@
+export declare const initNotificationsState: {
+    snackbarNotificationText: string;
+};
+export declare function showSnackbarNotification(text: string): {
+    type: string;
+    data: string;
+};
+export declare function hideSnackbarNotification(): {
+    type: string;
+};
+export declare function selectSnackbarNotificationText(state: any): any;
+declare function notificationsReducer(state: {
+    snackbarNotificationText: string;
+} | undefined, action: any): {
+    snackbarNotificationText: any;
+};
+export default notificationsReducer;

package/dist/script/ui/state/saltsAndSolvents/index.d.ts

@@ -19,7 +19,7 @@ interface SaltsAndSolventsState {
     lib: [];
     mode: string;
 }
-declare const saltsAndSolventsReducer: (state: SaltsAndSolventsState | undefined, { type, payload }: AnyAction) => any;
+declare const saltsAndSolventsReducer: (state: SaltsAndSolventsState | undefined, action: AnyAction) => any;
 export declare const initSaltsAndSolvents: (lib: SdfItem[]) => {
     type: string;
     payload: {

package/dist/script/ui/views/components/ContextMenu/hooks/useMarkAs.d.ts

@@ -0,0 +1,9 @@
+import { SelectionContextMenuProps, ItemEventParams } from '../contextMenu.types';
+import { RnaPresetComponentType } from '../../MonomerCreationWizard/MonomerCreationWizard.constants';
+declare type Params = ItemEventParams<SelectionContextMenuProps>;
+declare const useMarkAs: () => {
+    handler: (componentType: RnaPresetComponentType) => (_params: Params) => void;
+    isVisible: () => boolean | undefined;
+    isDisabled: () => boolean;
+};
+export default useMarkAs;

package/dist/script/ui/views/components/MonomerCreationWizard/MonomerCreationWizard.constants.d.ts

@@ -4,3 +4,5 @@ export declare const MAX_MODIFICATION_TYPES = 5;
 export declare const NotificationMessages: WizardNotificationMessageMap;
 export declare const NotificationTypes: WizardNotificationTypeMap;
 export declare const MonomerCreationExternalNotificationAction = "MonomerCreationExternalNotification";
+export declare const MonomerCreationMarkAsComponentAction = "MonomerCreationMarkAsComponent";
+export declare type RnaPresetComponentType = 'base' | 'sugar' | 'phosphate';

package/dist/script/ui/views/components/MonomerCreationWizard/MonomerCreationWizard.types.d.ts

@@ -19,7 +19,7 @@ export declare type WizardValues = {
     [key in StringWizardFormFieldId]: string;
 };
 export declare type WizardNotificationType = 'info' | 'error' | 'warning';
-export declare type WizardNotificationId = 'defaultAttachmentPoints' | 'emptyMandatoryFields' | 'invalidSymbol' | 'symbolExists' | 'editingIsNotAllowed' | 'noAttachmentPoints' | 'incorrectAttachmentPointsOrder' | 'creationSuccessful' | 'incontinuousStructure' | 'notUniqueModificationTypes' | 'modificationTypeExists' | 'notMinimalViableStructure' | 'impureStructure' | 'notUniqueHELMAlias' | 'invalidHELMAlias' | 'invalidRnaPresetStructure' | 'notUniquePresetCode' | 'invalidPresetCode';
+export declare type WizardNotificationId = 'defaultAttachmentPoints' | 'emptyMandatoryFields' | 'invalidSymbol' | 'symbolExists' | 'editingIsNotAllowed' | 'noAttachmentPoints' | 'incorrectAttachmentPointsOrder' | 'creationSuccessful' | 'creationRNASuccessful' | 'incontinuousStructure' | 'notUniqueModificationTypes' | 'modificationTypeExists' | 'notMinimalViableStructure' | 'impureStructure' | 'notUniqueHELMAlias' | 'invalidHELMAlias' | 'invalidRnaPresetStructure' | 'notUniquePresetCode' | 'invalidPresetCode';
 export declare type WizardNotificationTypeMap = Record<WizardNotificationId, WizardNotificationType>;
 export declare type WizardNotificationMessageMap = Record<WizardNotificationId, string>;
 export declare type WizardNotification = {
@@ -84,6 +84,11 @@ export declare type RnaPresetWizardAction = (WizardAction & {
     type: 'SetRnaPresetComponentStructure';
     rnaComponentKey: RnaPresetWizardStateFieldId;
     editor: Editor;
+} | {
+    type: 'UpdateRnaPresetComponentStructure';
+    rnaComponentKey: RnaPresetWizardComponentStateFieldId;
+    atomIds: number[];
+    bondIds: number[];
 } | {
     type: 'ResetErrors';
 } | {

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "ketcher-react",
-  "version": "3.12.0-dev.1",
+  "version": "3.12.0-rc.2",
   "description": "Web-based molecule sketcher",
   "license": "Apache-2.0",
   "homepage": "http://lifescience.opensource.epam.com/ketcher",