From 641b55e8f4583544a844190f101077b7a5a3dc41 Mon Sep 17 00:00:00 2001 From: Ilya Asiyuk Date: Wed, 17 Apr 2024 11:47:35 +0400 Subject: [PATCH] #4388 - Macro: Allow Nucleoside of sequence edit in RNA builder --- ...om-clipboard-and-undo-2-chromium-linux.png | Bin 33735 -> 33256 bytes ...with-rectangular-tool-1-chromium-linux.png | Bin 33884 -> 33779 bytes ...with-rectangular-tool-2-chromium-linux.png | Bin 21865 -> 21787 bytes ...py-and-paste-and-undo-3-chromium-linux.png | Bin 28845 -> 28747 bytes ...py-and-paste-and-undo-1-chromium-linux.png | Bin 31753 -> 31686 bytes ...py-and-paste-and-undo-2-chromium-linux.png | Bin 34020 -> 33917 bytes .../sequence-mode-edit-in-rna-builder.spec.ts | 64 ++++- ...in-rna-builder-button-1-chromium-linux.png | Bin 9967 -> 0 bytes ...in-rna-builder-button-2-chromium-linux.png | Bin 15793 -> 0 bytes ...in-rna-builder-button-1-chromium-linux.png | Bin 0 -> 9923 bytes ...in-rna-builder-button-2-chromium-linux.png | Bin 0 -> 16140 bytes ...-as-it-one-nucleotide-2-chromium-linux.png | Bin 0 -> 8749 bytes ...uld-become-nucleotide-3-chromium-linux.png | Bin 0 -> 10546 bytes ...-as-it-one-nucleotide-4-chromium-linux.png | Bin 0 -> 45002 bytes ...-as-it-one-nucleotide-3-chromium-linux.png | Bin 0 -> 9935 bytes ...uld-become-nucleotide-4-chromium-linux.png | Bin 0 -> 45517 bytes ...uld-become-nucleotide-2-chromium-linux.png | Bin 0 -> 10544 bytes ...-as-it-one-nucleotide-1-chromium-linux.png | Bin 0 -> 15691 bytes ...uld-become-nucleotide-1-chromium-linux.png | Bin 0 -> 16367 bytes ...ters-with-LClick-drag-1-chromium-linux.png | Bin 40293 -> 39975 bytes ...ters-with-LClick-drag-2-chromium-linux.png | Bin 29556 -> 29429 bytes ...-then-delete-and-undo-1-chromium-linux.png | Bin 38503 -> 38140 bytes ...-then-delete-and-undo-2-chromium-linux.png | Bin 34404 -> 34049 bytes ...-then-delete-and-undo-3-chromium-linux.png | Bin 37811 -> 37449 bytes ...-then-delete-and-undo-4-chromium-linux.png | Bin 29556 -> 29429 bytes ...ift-ArrowRight-button-1-chromium-linux.png | Bin 38340 -> 37985 bytes ...ift-ArrowRight-button-2-chromium-linux.png | Bin 28487 -> 28518 bytes ...hain-with-Ctrl-Lclick-1-chromium-linux.png | Bin 31753 -> 31686 bytes ...ers-with-Shift-Lclick-1-chromium-linux.png | Bin 31882 -> 31776 bytes ...ngular-selection-tool-1-chromium-linux.png | Bin 33884 -> 33779 bytes ...itch-to-sequence-mode-2-chromium-linux.png | Bin 29556 -> 29429 bytes ...view-and-back-to-flex-1-chromium-linux.png | Bin 28487 -> 28518 bytes ...view-and-back-to-flex-2-chromium-linux.png | Bin 59160 -> 59079 bytes ...view-and-back-to-flex-3-chromium-linux.png | Bin 40905 -> 40416 bytes .../tests/utils/macromolecules/sequence.ts | 8 +- .../src/application/editor/Editor.ts | 6 +- .../application/editor/modes/SequenceMode.ts | 146 +++++++---- .../src/application/editor/tools/Tool.ts | 13 +- .../renderers/sequence/SequenceRenderer.ts | 35 ++- .../domain/entities/DrawingEntitiesManager.ts | 25 +- .../ketcher-core/src/domain/entities/index.ts | 1 + .../src/domain/helpers/monomers.ts | 10 +- .../ketcher-core/src/domain/types/entities.ts | 5 + .../ketcher-core/src/domain/types/index.ts | 1 + .../SequenceItemContextMenu.tsx | 16 +- .../SequenceItemContextMenu/helpers.test.ts | 237 +++++++++++++++--- .../SequenceItemContextMenu/helpers.ts | 139 ++++++---- .../UpdateSequenceInRNABuilder.test.tsx | 6 +- .../UpdateSequenceInRNABuilder.tsx | 7 +- .../RnaEditorExpanded.test.tsx | 5 + .../RnaEditorExpanded/RnaEditorExpanded.tsx | 25 +- .../helpers/sequenceEdit.test.ts | 83 +++++- .../RnaEditorExpanded/helpers/sequenceEdit.ts | 24 +- .../hooks/useDisabledForSequenceMode.test.ts | 8 +- .../hooks/useDisabledForSequenceMode.ts | 6 +- .../RnaMonomerSection/RnaMonomerSection.tsx | 11 +- .../src/helpers/countNucleoelents.ts | 19 ++ .../src/state/rna-builder/rnaBuilderSlice.ts | 21 +- 58 files changed, 710 insertions(+), 211 deletions(-) delete mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-entir-0092b-and-see-disabled-modify-in-rna-builder-button-1-chromium-linux.png delete mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-entir-f3387-and-see-disabled-modify-in-rna-builder-button-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-entire-chain-and-see-enabled-modify-in-rna-builder-button-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-entire-chain-and-see-enabled-modify-in-rna-builder-button-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-nucle-2386e-dify-sugar-and-phosphate-as-it-one-nucleotide-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-nucle-29a1e-hosphate-nucleoside-should-become-nucleotide-3-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-nucle-3234e-dify-sugar-and-phosphate-as-it-one-nucleotide-4-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-nucle-323a0-dify-sugar-and-phosphate-as-it-one-nucleotide-3-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-nucle-403dc-hosphate-nucleoside-should-become-nucleotide-4-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-nucle-5df02-hosphate-nucleoside-should-become-nucleotide-2-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-nucle-fafd5-dify-sugar-and-phosphate-as-it-one-nucleotide-1-chromium-linux.png create mode 100644 ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-nucle-fc129-hosphate-nucleoside-should-become-nucleotide-1-chromium-linux.png create mode 100644 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b/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts @@ -47,6 +47,66 @@ test.describe('Sequence mode edit in RNA Builder', () => { await takePageScreenshot(page); }); + test('Select nucleoside and phosphate and modify sugar and phosphate as it one nucleotide', async ({ + page, + }) => { + // Coordinates for rectangle selection + const startX = 300; + const startY = 100; + const endX = 400; + const endY = 200; + await selectRectangleArea(page, startX, startY, endX, endY); + await clickOnSequenceSymbol(page, 'T', { button: 'right', nthNumber: 2 }); + // should see correct context menu title and available 'modify_in_rna_builder' button + await takeEditorScreenshot(page); + await page.getByTestId('modify_in_rna_builder').click(); + // should see uploaded nucleotide (nucleoside + phosphate) data to RNA Builder and disabled "Update" button + await takeRNABuilderScreenshot(page); + // Update Sugar + await page.getByTestId(SUGAR).click(); + await page.getByTestId('25R___2,5-Ribose').click(); + await moveMouseAway(page); + // Update Phosphate + await page.getByTestId(PHOSPHATE).click(); + await page.getByTestId('bP___Boranophosphate').click(); + await moveMouseAway(page); + // should see updated sugar and phosphate, updated title of preset and nondisabled "Update" button + await takeRNABuilderScreenshot(page); + await page.getByTestId('save-btn').click(); + await takePageScreenshot(page); + }); + + test('Select nucleotide, nucleoside and modify sugar and phosphate. nucleoside should become nucleotide', async ({ + page, + }) => { + // Coordinates for rectangle selection + const startX = 280; + const startY = 100; + const endX = 320; + const endY = 200; + await selectRectangleArea(page, startX, startY, endX, endY); + await clickOnSequenceSymbol(page, 'T', { button: 'right', nthNumber: 2 }); + // should see correct context menu title and available 'modify_in_rna_builder' button + await takeEditorScreenshot(page); + await page.getByTestId('modify_in_rna_builder').click(); + // should see uploaded data to RNA Builder and disabled "Update" button + await takeRNABuilderScreenshot(page); + // Update Sugar + await page.getByTestId(SUGAR).click(); + await page.getByTestId('25R___2,5-Ribose').click(); + await moveMouseAway(page); + // Update Phosphate + await page.getByTestId(PHOSPHATE).click(); + await page.getByTestId('bP___Boranophosphate').click(); + await moveMouseAway(page); + // should see updated sugar and phosphate of preset and nondisabled "Update" button + await takeRNABuilderScreenshot(page); + await page.getByTestId('save-btn').click(); + // Click 'Yes' in modal + await page.getByText('Yes').click(); + await takePageScreenshot(page); + }); + test('Select one nucleotide and cancel modification', async ({ page }) => { await clickOnSequenceSymbol(page, 'T'); await clickOnSequenceSymbol(page, 'T', { button: 'right' }); @@ -93,7 +153,7 @@ test.describe('Sequence mode edit in RNA Builder', () => { await takeEditorScreenshot(page); }); - test('Select entire chain and see disabled modify_in_rna_builder button', async ({ + test('Select entire chain and see enabled modify_in_rna_builder button', async ({ page, }) => { await page.keyboard.down('Control'); @@ -102,7 +162,7 @@ test.describe('Sequence mode edit in RNA Builder', () => { // should see the whole chain selected await takeEditorScreenshot(page); await clickOnSequenceSymbol(page, 'T', { button: 'right' }); - // should see correct context menu title and disabled 'modify_in_rna_builder' button + // should see correct context menu title and enabled 'modify_in_rna_builder' button await takeEditorScreenshot(page); }); }); diff --git a/ketcher-autotests/tests/Macromolecule-editor/Sequence-Mode/sequence-mode-edit-in-rna-builder.spec.ts-snapshots/Sequence-mode-edit-in-RNA-Builder-Select-entir-0092b-and-see-disabled-modify-in-rna-builder-button-1-chromium-linux.png 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LabeledNodesWithPositionInSequence[]) => this.onModifySequenceInRnaBuilder(updatedSelection), ); this.events.changeSequenceTypeEnterMode.add((mode: SequenceType) => @@ -278,7 +278,7 @@ export class CoreEditor { } private onModifySequenceInRnaBuilder( - updatedSelection: LabeledNucleotideWithPositionInSequence[], + updatedSelection: LabeledNodesWithPositionInSequence[], ) { if (!(this.mode instanceof SequenceMode)) { return; diff --git a/packages/ketcher-core/src/application/editor/modes/SequenceMode.ts b/packages/ketcher-core/src/application/editor/modes/SequenceMode.ts index 303c979cfa..448dbc7be4 100644 --- a/packages/ketcher-core/src/application/editor/modes/SequenceMode.ts +++ b/packages/ketcher-core/src/application/editor/modes/SequenceMode.ts @@ -7,9 +7,9 @@ import { NodesSelection, SequenceRenderer, } from 'application/render/renderers/sequence/SequenceRenderer'; -import { AttachmentPointName, MonomerItemType } from 'domain/types'; +import { AttachmentPointName } from 'domain/types'; import { Command } from 'domain/entities/Command'; -import { BaseMonomer, SequenceType, Vec2 } from 'domain/entities'; +import { BaseMonomer, Phosphate, SequenceType, Vec2 } from 'domain/entities'; import { BaseRenderer } from 'application/render/renderers/internal'; import { EmptySequenceNode } from 'domain/entities/EmptySequenceNode'; import { Nucleoside } from 'domain/entities/Nucleoside'; @@ -34,7 +34,7 @@ import { ChainsCollection } from 'domain/entities/monomer-chains/ChainsCollectio import { DrawingEntitiesManager } from 'domain/entities/DrawingEntitiesManager'; import { Chain } from 'domain/entities/monomer-chains/Chain'; import { MonomerSequenceNode } from 'domain/entities/MonomerSequenceNode'; -import { LabeledNucleotideWithPositionInSequence } from 'application/editor/tools/Tool'; +import { LabeledNodesWithPositionInSequence } from 'application/editor/tools/Tool'; const naturalAnalogues = uniq([ ...rnaDnaNaturalAnalogues, @@ -154,53 +154,102 @@ export class SequenceMode extends BaseMode { } public modifySequenceInRnaBuilder( - updatedSelection: LabeledNucleotideWithPositionInSequence[], + updatedSelection: LabeledNodesWithPositionInSequence[], ) { const editor = CoreEditor.provideEditorInstance(); const history = new EditorHistory(editor); const modelChanges = new Command(); // Update Nucleotides one by one - for (const labeledNucleotide of updatedSelection) { - const nodeIndexOverall = labeledNucleotide.nodeIndexOverall; + for (const labeledNucleoelement of updatedSelection) { + const nodeIndexOverall = labeledNucleoelement.nodeIndexOverall; if (nodeIndexOverall === undefined) return; // Create monomerItem(s) based on label - const sugarMonomerItem = getRnaPartLibraryItem( - editor, - labeledNucleotide.sugarLabel, - ); - const baseMonomerItem = getRnaPartLibraryItem( - editor, - labeledNucleotide.baseLabel, - ); - const phosphateMonomerItem = getRnaPartLibraryItem( - editor, - labeledNucleotide.phosphateLabel, - ); + let sugarMonomerItem; + let baseMonomerItem; + let phosphateMonomerItem; + if (labeledNucleoelement.sugarLabel) { + sugarMonomerItem = getRnaPartLibraryItem( + editor, + labeledNucleoelement.sugarLabel, + ); + } + if (labeledNucleoelement.baseLabel) { + baseMonomerItem = getRnaPartLibraryItem( + editor, + labeledNucleoelement.baseLabel, + ); + } + if (labeledNucleoelement.phosphateLabel) { + phosphateMonomerItem = getRnaPartLibraryItem( + editor, + labeledNucleoelement.phosphateLabel, + ); + } const currentNode = SequenceRenderer.getNodeByPointer(nodeIndexOverall); - // Update monomerItem objects - modelChanges.merge( - editor.drawingEntitiesManager.modifyMonomerItem( - currentNode.sugar, - sugarMonomerItem as MonomerItemType, - ), - ); - modelChanges.merge( - editor.drawingEntitiesManager.modifyMonomerItem( - currentNode.rnaBase, - baseMonomerItem as MonomerItemType, - ), - ); - modelChanges.merge( - editor.drawingEntitiesManager.modifyMonomerItem( - currentNode.phosphate, - phosphateMonomerItem as MonomerItemType, - ), - ); + // Update Sugar monomerItem object + if (currentNode.sugar && sugarMonomerItem) { + modelChanges.merge( + editor.drawingEntitiesManager.modifyMonomerItem( + currentNode.sugar, + sugarMonomerItem, + ), + ); + } + // Update Base monomerItem object + if (currentNode.rnaBase && baseMonomerItem) { + modelChanges.merge( + editor.drawingEntitiesManager.modifyMonomerItem( + currentNode.rnaBase, + baseMonomerItem, + ), + ); + } + + // Update monomerItem object or add Phosphate + if (phosphateMonomerItem) { + // Update Phosphate monomerItem object for Nucleotide + if (currentNode instanceof Nucleotide) { + modelChanges.merge( + editor.drawingEntitiesManager.modifyMonomerItem( + currentNode.phosphate, + phosphateMonomerItem, + ), + ); + // Add Phosphate to Nucleoside + } else if (currentNode instanceof Nucleoside) { + const sugarR2 = currentNode.sugar.attachmentPointsToBonds.R2; + const nextMonomerInSameChain = sugarR2?.secondMonomer; + + // Remove existing bond connection between Nucleoside Sugar and next node in case of any + if (sugarR2) { + modelChanges.merge( + editor.drawingEntitiesManager.deletePolymerBond(sugarR2), + ); + } + + modelChanges.merge( + this.bondNodesThroughNewPhosphate( + new Vec2(0, 0), + currentNode.sugar, + nextMonomerInSameChain, + labeledNucleoelement.phosphateLabel, + ), + ); + // Update Phosphate monomerItem object + } else if (currentNode.monomer instanceof Phosphate) { + modelChanges.merge( + editor.drawingEntitiesManager.modifyMonomerItem( + currentNode.monomer, + phosphateMonomerItem, + ), + ); + } + } } // Refresh UI @@ -282,12 +331,13 @@ export class SequenceMode extends BaseMode { private bondNodesThroughNewPhosphate( position: Vec2, previousMonomer: BaseMonomer, - nextMonomer: BaseMonomer, + nextMonomer?: BaseMonomer, + phosphate?: string, ) { const editor = CoreEditor.provideEditorInstance(); const phosphateLibraryItem = getRnaPartLibraryItem( editor, - RNA_DNA_NON_MODIFIED_PART.PHOSPHATE, + phosphate || RNA_DNA_NON_MODIFIED_PART.PHOSPHATE, ); assert(phosphateLibraryItem); @@ -309,14 +359,16 @@ export class SequenceMode extends BaseMode { ), ); - modelChanges.merge( - editor.drawingEntitiesManager.createPolymerBond( - additionalPhosphate, - nextMonomer, - AttachmentPointName.R2, - AttachmentPointName.R1, - ), - ); + if (nextMonomer) { + modelChanges.merge( + editor.drawingEntitiesManager.createPolymerBond( + additionalPhosphate, + nextMonomer, + AttachmentPointName.R2, + AttachmentPointName.R1, + ), + ); + } return modelChanges; } diff --git a/packages/ketcher-core/src/application/editor/tools/Tool.ts b/packages/ketcher-core/src/application/editor/tools/Tool.ts index 855560fbf2..6ec4279e5a 100644 --- a/packages/ketcher-core/src/application/editor/tools/Tool.ts +++ b/packages/ketcher-core/src/application/editor/tools/Tool.ts @@ -1,4 +1,4 @@ -import { MonomerItemType } from 'domain/types'; +import { MonomerItemType, Entities } from 'domain/types'; interface ToolEventHandler { click?(event: Event): void; @@ -76,11 +76,14 @@ export interface IRnaPreset { presetInList?: IRnaPreset; } -export type LabeledNucleotideWithPositionInSequence = { - baseLabel: string; - sugarLabel: string; - phosphateLabel: string; +export type LabeledNodesWithPositionInSequence = { + type: Entities; nodeIndexOverall: number; + baseLabel?: string; + sugarLabel?: string; + phosphateLabel?: string; + isNucleosideConnectedAndSelectedWithPhosphate?: boolean; + hasR1Connection?: boolean; }; export interface Tool extends ToolEventHandler { diff --git a/packages/ketcher-core/src/application/render/renderers/sequence/SequenceRenderer.ts b/packages/ketcher-core/src/application/render/renderers/sequence/SequenceRenderer.ts index 9255faa19a..035d15f922 100644 --- a/packages/ketcher-core/src/application/render/renderers/sequence/SequenceRenderer.ts +++ b/packages/ketcher-core/src/application/render/renderers/sequence/SequenceRenderer.ts @@ -1,12 +1,21 @@ import { ChainsCollection } from 'domain/entities/monomer-chains/ChainsCollection'; import { SequenceNodeRendererFactory } from 'application/render/renderers/sequence/SequenceNodeRendererFactory'; -import { BaseMonomer, RNABase, Sugar, Vec2 } from 'domain/entities'; +import { + BaseMonomer, + Nucleotide, + Phosphate, + RNABase, + Sugar, + Vec2, +} from 'domain/entities'; import { AttachmentPointName } from 'domain/types'; import { PolymerBondSequenceRenderer } from 'application/render/renderers/sequence/PolymerBondSequenceRenderer'; import { + getNextMonomerInChain, getRnaBaseFromSugar, getSugarFromRnaBase, } from 'domain/helpers/monomers'; +import { Nucleoside } from 'domain/entities/Nucleoside'; import { BackBoneBondSequenceRenderer } from 'application/render/renderers/sequence/BackBoneBondSequenceRenderer'; import { PolymerBond } from 'domain/entities/PolymerBond'; import { BaseSequenceItemRenderer } from 'application/render/renderers/sequence/BaseSequenceItemRenderer'; @@ -28,6 +37,8 @@ export type SequencePointer = number; export type NodeSelection = { node: SubChainNode; nodeIndexOverall: number; + isNucleosideConnectedAndSelectedWithPhosphate?: boolean; + hasR1Connection?: boolean; }; export type NodesSelection = NodeSelection[][]; @@ -634,16 +645,38 @@ export class SequenceRenderer { } public static get selections() { + const editor = CoreEditor.provideEditorInstance(); const selections: NodesSelection = []; let lastSelectionRangeIndex = -1; let previousNode; SequenceRenderer.forEachNode(({ node, nodeIndexOverall }) => { if (node.monomer.selected) { + const selection: Partial = {}; + + // Add field 'isNucleosideConnectedAndSelectedWithPhosphate' to the Nucleoside elements + if (node instanceof Nucleoside) { + const nextMonomer = getNextMonomerInChain(node.sugar); + + selection.isNucleosideConnectedAndSelectedWithPhosphate = + nextMonomer instanceof Phosphate && + nextMonomer.selected && + editor.drawingEntitiesManager.isNucleosideAndPhosphateConnectedAsNucleotide( + node, + nextMonomer, + ); + } + + // Add field 'hasR1Connection' to the Nucleotide/Nucleoside elements + if (node instanceof Nucleotide || node instanceof Nucleoside) { + selection.hasR1Connection = !!node.sugar.attachmentPointsToBonds.R1; + } + if (!previousNode?.monomer.selected) { lastSelectionRangeIndex = selections.push([]) - 1; } selections[lastSelectionRangeIndex].push({ + ...selection, node, nodeIndexOverall, }); diff --git a/packages/ketcher-core/src/domain/entities/DrawingEntitiesManager.ts b/packages/ketcher-core/src/domain/entities/DrawingEntitiesManager.ts index bef9fdecf4..d643efa7f7 100644 --- a/packages/ketcher-core/src/domain/entities/DrawingEntitiesManager.ts +++ b/packages/ketcher-core/src/domain/entities/DrawingEntitiesManager.ts @@ -158,11 +158,11 @@ export class DrawingEntitiesManager { monomer: BaseMonomer, monomerItemNew: MonomerItemType, ) { - const monomerNew = this.monomers.get(monomer.id); - if (!monomerNew) return monomer; - monomerNew.monomerItem = monomerItemNew; - this.monomers.set(monomer.id, monomerNew); - return monomerNew; + const initialMonomer = this.monomers.get(monomer.id); + if (!initialMonomer) return monomer; + initialMonomer.monomerItem = monomerItemNew; + this.monomers.set(monomer.id, initialMonomer); + return initialMonomer; } public addMonomer(monomerItem: MonomerItemType, position: Vec2) { @@ -1413,6 +1413,21 @@ export class DrawingEntitiesManager { ); } + public isNucleosideAndPhosphateConnectedAsNucleotide( + nucleoside: Nucleoside, + phosphate: Phosphate, + ) { + if ( + !(nucleoside instanceof Nucleoside) || + !(phosphate instanceof Phosphate) + ) + return false; + + return ( + nucleoside.sugar.attachmentPointsToBonds.R2?.secondMonomer === phosphate + ); + } + private getFirstMonomerInR2R1Chain(monomer: BaseMonomer) { const R1Bond = monomer.attachmentPointsToBonds.R1; return R1Bond && diff --git a/packages/ketcher-core/src/domain/entities/index.ts b/packages/ketcher-core/src/domain/entities/index.ts index 4c5664a372..cc618dc2cf 100644 --- a/packages/ketcher-core/src/domain/entities/index.ts +++ b/packages/ketcher-core/src/domain/entities/index.ts @@ -47,3 +47,4 @@ export * from './Axis'; export * from './Nucleoside'; export * from './Nucleotide'; export * from './monomer-chains/types'; +export * from './MonomerSequenceNode'; diff --git a/packages/ketcher-core/src/domain/helpers/monomers.ts b/packages/ketcher-core/src/domain/helpers/monomers.ts index b1abd09835..ac37ab79f7 100644 --- a/packages/ketcher-core/src/domain/helpers/monomers.ts +++ b/packages/ketcher-core/src/domain/helpers/monomers.ts @@ -88,8 +88,7 @@ export function isValidNucleotide(sugar: Sugar) { return Boolean( getRnaBaseFromSugar(sugar) && getPhosphateFromSugar(sugar) && - nextMonomerAfterPhosphate instanceof Sugar && - getRnaBaseFromSugar(nextMonomerAfterPhosphate), + nextMonomerAfterPhosphate, ); } @@ -98,11 +97,6 @@ export function isValidNucleoside(sugar: Sugar) { const nextMonomerAfterPhosphate = getNextMonomerInChain(phosphate); return ( - getRnaBaseFromSugar(sugar) && - (!phosphate || - !( - nextMonomerAfterPhosphate instanceof Sugar && - getRnaBaseFromSugar(nextMonomerAfterPhosphate) - )) + getRnaBaseFromSugar(sugar) && (!phosphate || !nextMonomerAfterPhosphate) ); } diff --git a/packages/ketcher-core/src/domain/types/entities.ts b/packages/ketcher-core/src/domain/types/entities.ts new file mode 100644 index 0000000000..b86ab7ed59 --- /dev/null +++ b/packages/ketcher-core/src/domain/types/entities.ts @@ -0,0 +1,5 @@ +export enum Entities { + Nucleotide = 'Nucleotide', + Nucleoside = 'Nucleoside', + Phosphate = 'Phosphate', +} diff --git a/packages/ketcher-core/src/domain/types/index.ts b/packages/ketcher-core/src/domain/types/index.ts index 684a4eb572..28ad072c40 100644 --- a/packages/ketcher-core/src/domain/types/index.ts +++ b/packages/ketcher-core/src/domain/types/index.ts @@ -1 +1,2 @@ export * from './monomers'; +export * from './entities'; diff --git a/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu.tsx b/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu.tsx index ab86c1f996..ff64c51b08 100644 --- a/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu.tsx +++ b/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/SequenceItemContextMenu.tsx @@ -18,7 +18,7 @@ import { setSequenceSelectionName, setActivePreset, setActiveRnaBuilderItem, - setIsSequenceFirstsOnlyNucleotidesSelected, + setIsSequenceFirstsOnlyNucleoelementsSelected, } from 'state/rna-builder'; import { generateSequenceContextMenuProps } from 'components/contextMenu/SequenceItemContextMenu/helpers'; @@ -49,14 +49,14 @@ export const SequenceItemContextMenu = ({ }) => { return ( !props?.sequenceItemRenderer || - !menuProps?.isSelectedAtLeastOneNucleotide + !menuProps?.isSelectedAtLeastOneNucleoelement ); }, }, { name: 'modify_in_rna_builder', title: 'Modify in RNA Builder...', - disabled: !menuProps?.isSelectedOnlyNucleotides, + disabled: !menuProps?.isSelectedOnlyNucleoelements, hidden: ({ props, }: { @@ -64,7 +64,7 @@ export const SequenceItemContextMenu = ({ }) => { return ( !props?.sequenceItemRenderer || - !menuProps?.isSelectedAtLeastOneNucleotide + !menuProps?.isSelectedAtLeastOneNucleoelement ); }, }, @@ -96,16 +96,16 @@ export const SequenceItemContextMenu = ({ dispatch(setActivePreset({})); dispatch(setActiveRnaBuilderItem(null)); if ( - menuProps?.selectedSequenceLabeledNucleotides?.length && + menuProps?.selectedSequenceLabeledNodes?.length && menuProps?.title ) { dispatch(setSequenceSelectionName(menuProps?.title)); dispatch( - setSequenceSelection(menuProps?.selectedSequenceLabeledNucleotides), + setSequenceSelection(menuProps?.selectedSequenceLabeledNodes), ); dispatch( - setIsSequenceFirstsOnlyNucleotidesSelected( - menuProps?.isSequenceFirstsOnlyNucleotidesSelected, + setIsSequenceFirstsOnlyNucleoelementsSelected( + menuProps?.isSequenceFirstsOnlyNucleoelementsSelected, ), ); } diff --git a/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/helpers.test.ts b/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/helpers.test.ts index edee6ff84c..9605a7016a 100644 --- a/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/helpers.test.ts +++ b/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/helpers.test.ts @@ -14,16 +14,28 @@ * limitations under the License. ***************************************************************************/ import cloneDeep from 'lodash/cloneDeep'; -import { Nucleotide, Phosphate, RNABase, Sugar } from 'ketcher-core'; +import { + Nucleotide, + Nucleoside, + Phosphate, + RNABase, + Sugar, + MonomerSequenceNode, + Entities, +} from 'ketcher-core'; import { generateSequenceContextMenuProps } from 'components/contextMenu/SequenceItemContextMenu/helpers'; -const instanceOfNode = Object.create(Nucleotide.prototype); +const instanceOfNucleotide = Object.create(Nucleotide.prototype); +const instanceOfNucleoside = Object.create(Nucleoside.prototype); +const instanceOfMonomerSequenceNode = Object.create( + MonomerSequenceNode.prototype, +); const instanceOfRNABase = Object.create(RNABase.prototype); const instanceOfSugar = Object.create(Sugar.prototype); const instanceOfPhosphate = Object.create(Phosphate.prototype); const nodeNucleotideFirstInChain = cloneDeep( - Object.assign(instanceOfNode, { + Object.assign(instanceOfNucleotide, { phosphate: Object.assign(instanceOfPhosphate, { monomerItem: { label: 'P', @@ -46,7 +58,7 @@ const nodeNucleotideFirstInChain = cloneDeep( ); const nodeNucleotideNotFirstInChain = cloneDeep( - Object.assign(instanceOfNode, { + Object.assign(instanceOfNucleotide, { phosphate: Object.assign(instanceOfPhosphate, { monomerItem: { label: 'P', @@ -70,19 +82,42 @@ const nodeNucleotideNotFirstInChain = cloneDeep( }), ); -const nodeMonomerInChain = { - monomer: { - monomerItem: { - label: 'P', - }, - }, -}; +const nodeNucleosideNotFirstInChain = cloneDeep( + Object.assign(instanceOfNucleoside, { + rnaBase: Object.assign(instanceOfRNABase, { + monomerItem: { + label: 'C', + }, + }), + sugar: Object.assign(instanceOfSugar, { + attachmentPointsToBonds: { + R1: { + id: 1, + }, + }, + monomerItem: { + label: 'R', + }, + }), + }), +); + +const nodeMonomerInChain = cloneDeep( + Object.assign(instanceOfMonomerSequenceNode, { + monomer: Object.assign(instanceOfPhosphate, { + monomerItem: { + label: 'P', + }, + }), + }), +); const mockedSelectionsFirstNucleotide = [ [ { node: nodeNucleotideFirstInChain, nodeIndexOverall: 0, + hasR1Connection: false, }, ], ]; @@ -92,6 +127,17 @@ const mockedSelectionsNotFirstNucleotide = [ { node: nodeNucleotideNotFirstInChain, nodeIndexOverall: 1, + hasR1Connection: true, + }, + ], +]; + +const mockedSelectionsNotFirstNucleoside = [ + [ + { + node: nodeNucleosideNotFirstInChain, + nodeIndexOverall: 1, + hasR1Connection: true, }, ], ]; @@ -101,10 +147,42 @@ const mockedSelections2Nucleotides = [ { node: nodeNucleotideFirstInChain, nodeIndexOverall: 0, + hasR1Connection: false, }, { node: nodeNucleotideNotFirstInChain, nodeIndexOverall: 1, + hasR1Connection: true, + }, + ], +]; + +const mockedSelectionsNucleosideAndPhosphate = [ + [ + { + node: nodeNucleosideNotFirstInChain, + nodeIndexOverall: 1, + isNucleosideConnectedAndSelectedWithPhosphate: true, + hasR1Connection: true, + }, + { + node: nodeMonomerInChain, + nodeIndexOverall: 2, + }, + ], +]; + +const mockedSelectionsPhosphateAndNucleoside = [ + [ + { + node: nodeMonomerInChain, + nodeIndexOverall: 2, + }, + { + node: nodeNucleosideNotFirstInChain, + nodeIndexOverall: 3, + isNucleosideConnectedAndSelectedWithPhosphate: false, + hasR1Connection: true, }, ], ]; @@ -114,10 +192,12 @@ const mockedSelections3Elements = [ { node: nodeNucleotideFirstInChain, nodeIndexOverall: 0, + hasR1Connection: false, }, { node: nodeNucleotideNotFirstInChain, nodeIndexOverall: 1, + hasR1Connection: true, }, { node: nodeMonomerInChain, @@ -138,15 +218,17 @@ describe('SequenceItemContextMenu helpers', () => { ); const expectedResult = { title: 'R(A)P', - isSelectedAtLeastOneNucleotide: true, - isSelectedOnlyNucleotides: true, - isSequenceFirstsOnlyNucleotidesSelected: true, - selectedSequenceLabeledNucleotides: [ + isSelectedAtLeastOneNucleoelement: true, + isSelectedOnlyNucleoelements: true, + isSequenceFirstsOnlyNucleoelementsSelected: true, + selectedSequenceLabeledNodes: [ { + type: Entities.Nucleotide, baseLabel: 'A', phosphateLabel: 'P', sugarLabel: 'R', nodeIndexOverall: 0, + hasR1Connection: false, }, ], }; @@ -160,15 +242,41 @@ describe('SequenceItemContextMenu helpers', () => { ); const expectedResult = { title: 'R(C)P', - isSelectedAtLeastOneNucleotide: true, - isSelectedOnlyNucleotides: true, - isSequenceFirstsOnlyNucleotidesSelected: false, - selectedSequenceLabeledNucleotides: [ + isSelectedAtLeastOneNucleoelement: true, + isSelectedOnlyNucleoelements: true, + isSequenceFirstsOnlyNucleoelementsSelected: false, + selectedSequenceLabeledNodes: [ { + type: Entities.Nucleotide, baseLabel: 'C', phosphateLabel: 'P', sugarLabel: 'R', nodeIndexOverall: 1, + hasR1Connection: true, + }, + ], + }; + + expect(result).toStrictEqual(expectedResult); + }); + + it('should return correct data for not first in chain selected Nucleoside', () => { + const result = generateSequenceContextMenuProps( + mockedSelectionsNotFirstNucleoside, + ); + const expectedResult = { + title: 'R(C)', + isSelectedAtLeastOneNucleoelement: true, + isSelectedOnlyNucleoelements: true, + isSequenceFirstsOnlyNucleoelementsSelected: false, + selectedSequenceLabeledNodes: [ + { + type: Entities.Nucleoside, + baseLabel: 'C', + sugarLabel: 'R', + nodeIndexOverall: 1, + isNucleosideConnectedAndSelectedWithPhosphate: undefined, + hasR1Connection: true, }, ], }; @@ -182,21 +290,83 @@ describe('SequenceItemContextMenu helpers', () => { ); const expectedResult = { title: '2 nucleotides', - isSelectedAtLeastOneNucleotide: true, - isSelectedOnlyNucleotides: true, - isSequenceFirstsOnlyNucleotidesSelected: false, - selectedSequenceLabeledNucleotides: [ + isSelectedAtLeastOneNucleoelement: true, + isSelectedOnlyNucleoelements: true, + isSequenceFirstsOnlyNucleoelementsSelected: false, + selectedSequenceLabeledNodes: [ { + type: Entities.Nucleotide, baseLabel: 'A', phosphateLabel: 'P', sugarLabel: 'R', nodeIndexOverall: 0, + hasR1Connection: false, }, { + type: Entities.Nucleotide, baseLabel: 'C', phosphateLabel: 'P', sugarLabel: 'R', nodeIndexOverall: 1, + hasR1Connection: true, + }, + ], + }; + + expect(result).toStrictEqual(expectedResult); + }); + + it('should return correct data for connected and selected Nucleoside-Phosphate that can be interpreted as Nucleotide', () => { + const result = generateSequenceContextMenuProps( + mockedSelectionsNucleosideAndPhosphate, + ); + const expectedResult = { + title: 'R(C)P', + isSelectedAtLeastOneNucleoelement: true, + isSelectedOnlyNucleoelements: true, + isSequenceFirstsOnlyNucleoelementsSelected: false, + selectedSequenceLabeledNodes: [ + { + type: Entities.Nucleoside, + baseLabel: 'C', + sugarLabel: 'R', + nodeIndexOverall: 1, + hasR1Connection: true, + isNucleosideConnectedAndSelectedWithPhosphate: true, + }, + { + type: Entities.Phosphate, + phosphateLabel: 'P', + nodeIndexOverall: 2, + }, + ], + }; + + expect(result).toStrictEqual(expectedResult); + }); + + it('should return correct data for connected and selected Phosphate-Nucleoside that can not be interpreted as Nucleotide', () => { + const result = generateSequenceContextMenuProps( + mockedSelectionsPhosphateAndNucleoside, + ); + const expectedResult = { + title: '2 elements', + isSelectedAtLeastOneNucleoelement: true, + isSelectedOnlyNucleoelements: false, + isSequenceFirstsOnlyNucleoelementsSelected: false, + selectedSequenceLabeledNodes: [ + { + type: Entities.Phosphate, + phosphateLabel: 'P', + nodeIndexOverall: 2, + }, + { + type: Entities.Nucleoside, + baseLabel: 'C', + sugarLabel: 'R', + nodeIndexOverall: 3, + hasR1Connection: true, + isNucleosideConnectedAndSelectedWithPhosphate: false, }, ], }; @@ -208,21 +378,30 @@ describe('SequenceItemContextMenu helpers', () => { const result = generateSequenceContextMenuProps(mockedSelections3Elements); const expectedResult = { title: '3 elements', - isSelectedAtLeastOneNucleotide: true, - isSelectedOnlyNucleotides: false, - isSequenceFirstsOnlyNucleotidesSelected: false, - selectedSequenceLabeledNucleotides: [ + isSelectedAtLeastOneNucleoelement: true, + isSelectedOnlyNucleoelements: false, + isSequenceFirstsOnlyNucleoelementsSelected: false, + selectedSequenceLabeledNodes: [ { baseLabel: 'A', + nodeIndexOverall: 0, phosphateLabel: 'P', sugarLabel: 'R', - nodeIndexOverall: 0, + type: Entities.Nucleotide, + hasR1Connection: false, }, { baseLabel: 'C', + nodeIndexOverall: 1, phosphateLabel: 'P', sugarLabel: 'R', - nodeIndexOverall: 1, + type: Entities.Nucleotide, + hasR1Connection: true, + }, + { + nodeIndexOverall: 2, + phosphateLabel: 'P', + type: Entities.Phosphate, }, ], }; diff --git a/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/helpers.ts b/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/helpers.ts index a722658ff6..f3d9f45b86 100644 --- a/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/helpers.ts +++ b/packages/ketcher-macromolecules/src/components/contextMenu/SequenceItemContextMenu/helpers.ts @@ -1,43 +1,72 @@ -import { flatten, get } from 'lodash'; +import { flatten, get, merge } from 'lodash'; import { Nucleotide, - LabeledNucleotideWithPositionInSequence, + Nucleoside, + LabeledNodesWithPositionInSequence, NodeSelection, NodesSelection, + Phosphate, + Entities, } from 'ketcher-core'; +import { getCountOfNucleoelements } from 'helpers/countNucleoelents'; -const generateLabeledNucleotides = ( +const generateLabeledNodes = ( selectionsFlatten: NodeSelection[], -): LabeledNucleotideWithPositionInSequence[] => { - const labeledNucleotides: LabeledNucleotideWithPositionInSequence[] = []; +): LabeledNodesWithPositionInSequence[] => { + const labeledNodes: LabeledNodesWithPositionInSequence[] = []; for (const selection of selectionsFlatten) { - const node = selection.node; - if (!(node instanceof Nucleotide)) { - continue; - } - - const { nodeIndexOverall } = selection; - labeledNucleotides.push({ - baseLabel: node.rnaBase.label, - sugarLabel: node.sugar.label, - phosphateLabel: node.phosphate.label, + const { + node, nodeIndexOverall, - }); + isNucleosideConnectedAndSelectedWithPhosphate, + hasR1Connection, + } = selection; + + if (node instanceof Nucleotide) { + labeledNodes.push({ + type: Entities.Nucleotide, + baseLabel: node?.rnaBase?.label, + sugarLabel: node?.sugar?.label, + phosphateLabel: node?.phosphate?.label, + hasR1Connection, + nodeIndexOverall, + }); + } else if (node instanceof Nucleoside) { + labeledNodes.push({ + type: Entities.Nucleoside, + baseLabel: node?.rnaBase?.label, + sugarLabel: node?.sugar?.label, + isNucleosideConnectedAndSelectedWithPhosphate, + hasR1Connection, + nodeIndexOverall, + }); + } else if (node?.monomer instanceof Phosphate) { + labeledNodes.push({ + type: Entities.Phosphate, + phosphateLabel: node?.monomer?.label, + nodeIndexOverall, + }); + } } - return labeledNucleotides; + return labeledNodes; }; -// Generate menu title if selected one nucleotide -const generateNucleotideTitle = (nucleotide: Nucleotide) => { +// Generate menu title if selected: +// one nucleotide +// one nucleoside +// nucleoside + phosphate +const generateNucleoelementTitle = ( + elements: LabeledNodesWithPositionInSequence[], +) => { let tempTitle = ''; + const element = elements.length === 1 ? elements[0] : merge({}, ...elements); - for (const property of ['sugar', 'rnaBase', 'phosphate']) { - const propertyVal = nucleotide[property]; - const label = get(propertyVal, 'monomerItem.label', ''); + for (const property of ['sugarLabel', 'baseLabel', 'phosphateLabel']) { + const label = get(element, property, ''); - if (property === 'rnaBase') { + if (property === 'baseLabel') { tempTitle += `(${label})`; } else { tempTitle += label; @@ -53,48 +82,54 @@ export const generateSequenceContextMenuProps = ( if (!selections?.length) return; const selectionsFlatten: NodeSelection[] = flatten(selections); + const countOfSelections = selectionsFlatten.length; + const countOfNucleoelements = getCountOfNucleoelements(selectionsFlatten); let title: string; - let isSelectedAtLeastOneNucleotide = false; - let isSelectedOnlyNucleotides = true; - const selectionsCount = selectionsFlatten.length; - let isSequenceFirstsOnlyNucleotidesSelected = true; + let isSelectedAtLeastOneNucleoelement = false; + let isSelectedOnlyNucleoelements = true; + let isSequenceFirstsOnlyNucleoelementsSelected = true; - for (let i = 0; i < selectionsCount; i++) { - const node = selectionsFlatten[i].node; - if (node instanceof Nucleotide) { - const nodeAttachmentR1 = node.sugar.attachmentPointsToBonds.R1; - if (nodeAttachmentR1 !== null) { - isSequenceFirstsOnlyNucleotidesSelected = false; - } - isSelectedAtLeastOneNucleotide = true; + // Generate labeled elements for RNA Builder + const selectedSequenceLabeledNodes = generateLabeledNodes(selectionsFlatten); + + for (let i = 0; i < selectedSequenceLabeledNodes.length; i++) { + const node = selectedSequenceLabeledNodes[i]; + const prevNode = selectedSequenceLabeledNodes[i - 1]; + const isNodeNucleotideOrNucleoside = + node.type === Entities.Nucleotide || node.type === Entities.Nucleoside; + const isNucleotideConnection = + prevNode?.isNucleosideConnectedAndSelectedWithPhosphate; + + if (isNodeNucleotideOrNucleoside) { + isSelectedAtLeastOneNucleoelement = true; + } + + if (isNodeNucleotideOrNucleoside || isNucleotideConnection) { + if (node.hasR1Connection) + isSequenceFirstsOnlyNucleoelementsSelected = false; } else { - isSequenceFirstsOnlyNucleotidesSelected = false; - isSelectedOnlyNucleotides = false; + isSequenceFirstsOnlyNucleoelementsSelected = false; + isSelectedOnlyNucleoelements = false; } } // Set title based on selected elements if ( - selectionsCount === 1 && - selectionsFlatten[0].node instanceof Nucleotide + countOfSelections === 1 || + (countOfNucleoelements === 1 && isSelectedOnlyNucleoelements) ) { - title = generateNucleotideTitle(selectionsFlatten[0].node); + title = generateNucleoelementTitle(selectedSequenceLabeledNodes); } else { - const titleElementType = isSelectedOnlyNucleotides - ? 'nucleotides' - : 'elements'; - title = `${selectionsCount} ${titleElementType}`; + title = isSelectedOnlyNucleoelements + ? `${countOfNucleoelements} nucleotides` + : `${countOfSelections} elements`; } - // Generate labeled elements for RNA Builder - const selectedSequenceLabeledNucleotides = - generateLabeledNucleotides(selectionsFlatten); - return { title, - isSelectedOnlyNucleotides, - isSelectedAtLeastOneNucleotide, - selectedSequenceLabeledNucleotides, - isSequenceFirstsOnlyNucleotidesSelected, + selectedSequenceLabeledNodes, + isSelectedOnlyNucleoelements, + isSelectedAtLeastOneNucleoelement, + isSequenceFirstsOnlyNucleoelementsSelected, }; }; diff --git a/packages/ketcher-macromolecules/src/components/modal/UpdateSequenceInRNABuilder/UpdateSequenceInRNABuilder.test.tsx b/packages/ketcher-macromolecules/src/components/modal/UpdateSequenceInRNABuilder/UpdateSequenceInRNABuilder.test.tsx index e1f9bd27e0..9e61ef4492 100644 --- a/packages/ketcher-macromolecules/src/components/modal/UpdateSequenceInRNABuilder/UpdateSequenceInRNABuilder.test.tsx +++ b/packages/ketcher-macromolecules/src/components/modal/UpdateSequenceInRNABuilder/UpdateSequenceInRNABuilder.test.tsx @@ -15,7 +15,7 @@ ***************************************************************************/ import { fireEvent, render, screen } from '@testing-library/react'; -import { LabeledNucleotideWithPositionInSequence } from 'ketcher-core'; +import { LabeledNodesWithPositionInSequence, Entities } from 'ketcher-core'; import { UpdateSequenceInRNABuilder } from './UpdateSequenceInRNABuilder'; const mockProps = { @@ -24,11 +24,13 @@ const mockProps = { }; describe('UpdateSequenceInRNABuilder modal component', () => { - const labeledNucleotide: LabeledNucleotideWithPositionInSequence = { + const labeledNucleotide: LabeledNodesWithPositionInSequence = { + type: Entities.Nucleotide, baseLabel: 'A', phosphateLabel: 'P', sugarLabel: 'R', nodeIndexOverall: 0, + hasR1Connection: false, }; it('should render correctly', () => { diff --git a/packages/ketcher-macromolecules/src/components/modal/UpdateSequenceInRNABuilder/UpdateSequenceInRNABuilder.tsx b/packages/ketcher-macromolecules/src/components/modal/UpdateSequenceInRNABuilder/UpdateSequenceInRNABuilder.tsx index 3cc198a835..dae4a3cf85 100644 --- a/packages/ketcher-macromolecules/src/components/modal/UpdateSequenceInRNABuilder/UpdateSequenceInRNABuilder.tsx +++ b/packages/ketcher-macromolecules/src/components/modal/UpdateSequenceInRNABuilder/UpdateSequenceInRNABuilder.tsx @@ -25,6 +25,7 @@ import { import { ActionButton } from 'components/shared/actionButton'; import styled from '@emotion/styled'; import { selectEditor } from 'state/common'; +import { getCountOfNucleoelements } from 'helpers/countNucleoelents'; export interface Props { onClose: () => void; @@ -39,7 +40,7 @@ const UpdateSequenceInRNABuilder = ({ isModalOpen, onClose }: Props) => { const dispatch = useAppDispatch(); const sequenceSelection = useAppSelector(selectSequenceSelection); const editor = useAppSelector(selectEditor); - const countOfSequenceSelection = sequenceSelection.length; + const countOfNucleoelements = getCountOfNucleoelements(sequenceSelection); const onCloseCallback = useCallback(() => { onClose(); }, [onClose]); @@ -69,8 +70,8 @@ const UpdateSequenceInRNABuilder = ({ isModalOpen, onClose }: Props) => { > - You are going to modify {countOfSequenceSelection} nucleotides. Are - you sure? + You are going to modify {countOfNucleoelements} nucleotides. Are you + sure? diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.test.tsx b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.test.tsx index 1f417cff30..5d4d059e65 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.test.tsx +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.test.tsx @@ -1,3 +1,4 @@ +import { Entities } from 'ketcher-core'; import { fireEvent, render, screen } from '@testing-library/react'; import { RnaEditorExpanded } from 'components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded'; import { EmptyFunction } from 'helpers'; @@ -62,16 +63,20 @@ describe('Test Rna Editor Expanded component', () => { sequenceSelectionName: '2 nucleotides', sequenceSelection: [ { + type: Entities.Nucleotide, baseLabel: 'A', sugarLabel: 'R', phosphateLabel: 'P', nodeIndexOverall: 0, + hasR1Connection: false, }, { + type: Entities.Nucleotide, baseLabel: 'C', sugarLabel: 'R', phosphateLabel: 'P', nodeIndexOverall: 1, + hasR1Connection: true, }, ], }, diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.tsx b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.tsx index cd7f6923f5..a742801b39 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.tsx +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/RnaEditorExpanded.tsx @@ -14,6 +14,7 @@ * limitations under the License. ***************************************************************************/ +import { Entities } from 'ketcher-core'; import { MonomerGroups } from 'src/constants'; import { GroupBlock } from './GroupBlock'; import { @@ -62,6 +63,7 @@ import { generateSequenceSelectionName, } from 'components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit'; import { openModal } from 'state/modal'; +import { getCountOfNucleoelements } from 'helpers/countNucleoelents'; type SequenceSelectionGroupNames = { [MonomerGroups.SUGARS]: string; @@ -131,11 +133,12 @@ export const RnaEditorExpanded = ({ }, [activePreset]); useEffect(() => { - // If modifying 1 Nucleotide in sequence - if (sequenceSelection?.length === 1) { + if (!sequenceSelection) return; + // If modifying 1 Nucleotide or 1 Nucleoside or Nucleoside with Phosphate in sequence + if (getCountOfNucleoelements(sequenceSelection) === 1) { dispatch( setSequenceSelectionName( - generateSequenceSelectionName(sequenceSelection[0]), + generateSequenceSelectionName(sequenceSelection), ), ); } @@ -150,9 +153,19 @@ export const RnaEditorExpanded = ({ const monomerType = monomerGroupToPresetGroup[activePresetMonomerGroup.groupName]; const field = `${monomerType}Label`; - const updatedSequenceSelection = sequenceSelection.map((preset) => { + const updatedSequenceSelection = sequenceSelection.map((node) => { + // Do not set 'phosphateLabel' for Nucleoside if it is connected and selected with Phosphate + // Do not set 'sugarLabel', 'baseLabel' for Phosphate + if ( + (node.isNucleosideConnectedAndSelectedWithPhosphate && + field === 'phosphateLabel') || + (node.type === Entities.Phosphate && + (field === 'sugarLabel' || field === 'baseLabel')) + ) + return node; + return { - ...preset, + ...node, [field]: activePresetMonomerGroup.groupItem.label, }; }); @@ -216,7 +229,7 @@ export const RnaEditorExpanded = ({ }; const onUpdateSequence = () => { - if (sequenceSelection.length > 1) { + if (getCountOfNucleoelements(sequenceSelection) > 1) { dispatch(openModal('updateSequenceInRNABuilder')); } else { editor.events.modifySequenceInRnaBuilder.dispatch(sequenceSelection); diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit.test.ts b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit.test.ts index e94f794d92..a0b8c03842 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit.test.ts +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit.test.ts @@ -2,16 +2,21 @@ import { generateSequenceSelectionName, generateSequenceSelectionGroupNames, } from 'components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit'; +import { Entities, LabeledNodesWithPositionInSequence } from 'ketcher-core'; describe('generateSequenceSelectionName', () => { it('returns the properly formatted string when a nucleotide is passed', () => { - const labeledNucleotide = { - sugarLabel: 'R', - baseLabel: 'A', - phosphateLabel: 'P', - nodeIndexOverall: 0, - }; - expect(generateSequenceSelectionName(labeledNucleotide)).toBe('R(A)P'); + const labeledNucleotides: LabeledNodesWithPositionInSequence[] = [ + { + type: Entities.Nucleotide, + sugarLabel: 'R', + baseLabel: 'A', + phosphateLabel: 'P', + nodeIndexOverall: 0, + hasR1Connection: false, + }, + ]; + expect(generateSequenceSelectionName(labeledNucleotides)).toBe('R(A)P'); }); }); @@ -21,12 +26,14 @@ describe('generateSequenceSelectionGroupNames', () => { }); it('returns correct object for single nucleotide', () => { - const labeledNucleotides = [ + const labeledNucleotides: LabeledNodesWithPositionInSequence[] = [ { + type: Entities.Nucleotide, sugarLabel: 'R', baseLabel: 'A', phosphateLabel: 'P', nodeIndexOverall: 0, + hasR1Connection: false, }, ]; expect(generateSequenceSelectionGroupNames(labeledNucleotides)).toEqual({ @@ -37,18 +44,22 @@ describe('generateSequenceSelectionGroupNames', () => { }); it('returns correct object for multiple different nucleotides', () => { - const labeledNucleotides = [ + const labeledNucleotides: LabeledNodesWithPositionInSequence[] = [ { + type: Entities.Nucleotide, sugarLabel: 'R', baseLabel: 'A', phosphateLabel: 'P', nodeIndexOverall: 0, + hasR1Connection: false, }, { + type: Entities.Nucleotide, sugarLabel: '25R', baseLabel: 'C', phosphateLabel: 'P', nodeIndexOverall: 1, + hasR1Connection: true, }, ]; expect(generateSequenceSelectionGroupNames(labeledNucleotides)).toEqual({ @@ -59,18 +70,46 @@ describe('generateSequenceSelectionGroupNames', () => { }); it('returns correct object for multiple similar nucleotides', () => { - const labeledNucleotides = [ + const labeledNucleotides: LabeledNodesWithPositionInSequence[] = [ { + type: Entities.Nucleotide, sugarLabel: 'R', baseLabel: 'A', phosphateLabel: 'P', nodeIndexOverall: 0, + hasR1Connection: false, }, { + type: Entities.Nucleotide, sugarLabel: 'R', baseLabel: 'A', phosphateLabel: 'P', nodeIndexOverall: 1, + hasR1Connection: true, + }, + ]; + expect(generateSequenceSelectionGroupNames(labeledNucleotides)).toEqual({ + Sugars: 'R', + Bases: 'A', + Phosphates: 'P', + }); + }); + + it('returns correct object for nucleoside + phosphate (as it is nucleotide)', () => { + const labeledNucleotides: LabeledNodesWithPositionInSequence[] = [ + { + type: Entities.Nucleoside, + sugarLabel: 'R', + baseLabel: 'A', + nodeIndexOverall: 1, + isNucleosideConnectedAndSelectedWithPhosphate: true, + hasR1Connection: true, + }, + { + type: Entities.Phosphate, + phosphateLabel: 'P', + nodeIndexOverall: 2, + hasR1Connection: true, }, ]; expect(generateSequenceSelectionGroupNames(labeledNucleotides)).toEqual({ @@ -79,4 +118,28 @@ describe('generateSequenceSelectionGroupNames', () => { Phosphates: 'P', }); }); + + it('returns correct object for phosphate + nucleoside (as it is not nucleotide)', () => { + const labeledNucleotides: LabeledNodesWithPositionInSequence[] = [ + { + type: Entities.Phosphate, + phosphateLabel: 'P', + nodeIndexOverall: 1, + hasR1Connection: true, + }, + { + type: Entities.Nucleoside, + sugarLabel: 'R', + baseLabel: 'A', + nodeIndexOverall: 2, + isNucleosideConnectedAndSelectedWithPhosphate: false, + hasR1Connection: true, + }, + ]; + expect(generateSequenceSelectionGroupNames(labeledNucleotides)).toEqual({ + Sugars: 'R', + Bases: 'A', + Phosphates: '[multiple]', + }); + }); }); diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit.ts b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit.ts index cd51268ddc..da6edda615 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit.ts +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/RnaBuilder/RnaEditor/RnaEditorExpanded/helpers/sequenceEdit.ts @@ -1,11 +1,12 @@ -import { LabeledNucleotideWithPositionInSequence } from 'ketcher-core'; +import { Entities, LabeledNodesWithPositionInSequence } from 'ketcher-core'; const getNucleotideMonomerGroupName = (nameSet: Set): string => { + if (nameSet.size === 0) return ''; return nameSet.size === 1 ? [...nameSet][0] : '[multiple]'; }; export const generateSequenceSelectionGroupNames = ( - labeledNucleotides?: LabeledNucleotideWithPositionInSequence[], + labeledNucleotides?: LabeledNodesWithPositionInSequence[], ) => { if (!labeledNucleotides?.length) return; @@ -16,8 +17,15 @@ export const generateSequenceSelectionGroupNames = ( }; for (let i = 0; i < labeledNucleotides.length; i++) { - for (const item of ['sugarLabel', 'baseLabel', 'phosphateLabel']) - namesSets[item].add(labeledNucleotides[i]?.[item]); + for (const item of ['sugarLabel', 'baseLabel', 'phosphateLabel']) { + if ( + labeledNucleotides[i]?.[item] || + (!labeledNucleotides[i]?.[item] && + labeledNucleotides[i].type === Entities.Nucleoside && + !labeledNucleotides[i].isNucleosideConnectedAndSelectedWithPhosphate) + ) + namesSets[item].add(labeledNucleotides[i]?.[item]); + } } return { @@ -28,7 +36,11 @@ export const generateSequenceSelectionGroupNames = ( }; export const generateSequenceSelectionName = ( - labeledNucleotide: LabeledNucleotideWithPositionInSequence, + labeledNucleoelements: LabeledNodesWithPositionInSequence[], ) => { - return `${labeledNucleotide?.sugarLabel}(${labeledNucleotide.baseLabel})${labeledNucleotide?.phosphateLabel}`; + const groupNames = generateSequenceSelectionGroupNames(labeledNucleoelements); + + return `${groupNames?.Sugars}(${groupNames?.Bases})${ + groupNames?.Phosphates || '' + }`; }; diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/monomerLibraryItem/hooks/useDisabledForSequenceMode.test.ts b/packages/ketcher-macromolecules/src/components/monomerLibrary/monomerLibraryItem/hooks/useDisabledForSequenceMode.test.ts index 274dce9d88..fc95898e09 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/monomerLibraryItem/hooks/useDisabledForSequenceMode.test.ts +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/monomerLibraryItem/hooks/useDisabledForSequenceMode.test.ts @@ -88,7 +88,7 @@ describe('useDisabledForSequenceMode hook', () => { }); describe('for Sugars', () => { - it('should return false if there is R2 and R3 and isSequenceFirstsOnlyNucleotidesSelected is true', () => { + it('should return false if there is R2 and R3 and isSequenceFirstsOnlyNucleoelementsSelected is true', () => { mockUseSequenceEditInRNABuilderMode.mockReturnValue(true); mockUseSelector.mockImplementation(() => true); monomer.props.MonomerCaps = { R2: 'H', R3: 'H' }; @@ -98,7 +98,7 @@ describe('useDisabledForSequenceMode hook', () => { expect(result.current).toBe(false); }); - it('should return true if there is no R2 or R3 and isSequenceFirstsOnlyNucleotidesSelected is true', () => { + it('should return true if there is no R2 or R3 and isSequenceFirstsOnlyNucleoelementsSelected is true', () => { mockUseSequenceEditInRNABuilderMode.mockReturnValue(true); mockUseSelector.mockImplementation(() => true); monomer.props.MonomerCaps = { R2: 'H' }; @@ -117,7 +117,7 @@ describe('useDisabledForSequenceMode hook', () => { expect(result2.current).toBe(true); }); - it('should return false if there is R1, R2, R3 and isSequenceFirstsOnlyNucleotidesSelected is false', () => { + it('should return false if there is R1, R2, R3 and isSequenceFirstsOnlyNucleoelementsSelected is false', () => { mockUseSequenceEditInRNABuilderMode.mockReturnValue(true); mockUseSelector.mockImplementation(() => false); monomer.props.MonomerCaps = { R1: 'H', R2: 'H', R3: 'H' }; @@ -127,7 +127,7 @@ describe('useDisabledForSequenceMode hook', () => { expect(result.current).toBe(false); }); - it('should return true if there is no R1 or R2 or R3 and isSequenceFirstsOnlyNucleotidesSelected is false', () => { + it('should return true if there is no R1 or R2 or R3 and isSequenceFirstsOnlyNucleoelementsSelected is false', () => { mockUseSequenceEditInRNABuilderMode.mockReturnValue(true); mockUseSelector.mockImplementation(() => true); diff --git a/packages/ketcher-macromolecules/src/components/monomerLibrary/monomerLibraryItem/hooks/useDisabledForSequenceMode.ts b/packages/ketcher-macromolecules/src/components/monomerLibrary/monomerLibraryItem/hooks/useDisabledForSequenceMode.ts index 27117ad83a..377b2cb7d7 100644 --- a/packages/ketcher-macromolecules/src/components/monomerLibrary/monomerLibraryItem/hooks/useDisabledForSequenceMode.ts +++ b/packages/ketcher-macromolecules/src/components/monomerLibrary/monomerLibraryItem/hooks/useDisabledForSequenceMode.ts @@ -9,7 +9,7 @@ const useDisabledForSequenceMode = ( groupName?: MonomerGroups, ) => { const isSequenceEditInRNABuilderMode = useSequenceEditInRNABuilderMode(); - const isSequenceFirstsOnlyNucleotidesSelected = useSelector( + const isSequenceFirstsOnlyNucleoelementsSelected = useSelector( selectIsSequenceFirstsOnlyNucleotidesSelected, ); const [isDisabled, setIsDisabled] = useState(false); @@ -24,7 +24,7 @@ const useDisabledForSequenceMode = ( !(item?.props?.MonomerCaps?.R1 && item?.props?.MonomerCaps?.R2), ); } else if (groupName === MonomerGroups.SUGARS) { - if (isSequenceFirstsOnlyNucleotidesSelected) { + if (isSequenceFirstsOnlyNucleoelementsSelected) { setIsDisabled( !(item?.props?.MonomerCaps?.R3 && item?.props?.MonomerCaps?.R2), ); @@ -41,7 +41,7 @@ const useDisabledForSequenceMode = ( }, [ groupName, isSequenceEditInRNABuilderMode, - isSequenceFirstsOnlyNucleotidesSelected, + isSequenceFirstsOnlyNucleoelementsSelected, item?.props?.MonomerCaps?.R1, item?.props?.MonomerCaps?.R2, item?.props?.MonomerCaps?.R3, diff --git a/packages/ketcher-macromolecules/src/components/rna/RnaMonomerSection/RnaMonomerSection.tsx b/packages/ketcher-macromolecules/src/components/rna/RnaMonomerSection/RnaMonomerSection.tsx index 077b0f3ca3..9d107c3ef4 100644 --- a/packages/ketcher-macromolecules/src/components/rna/RnaMonomerSection/RnaMonomerSection.tsx +++ b/packages/ketcher-macromolecules/src/components/rna/RnaMonomerSection/RnaMonomerSection.tsx @@ -13,6 +13,7 @@ * See the License for the specific language governing permissions and * limitations under the License. ***************************************************************************/ +import { Entities } from 'ketcher-core'; import { Switcher } from 'components/rna/Switcher'; import { useEffect, useState } from 'react'; import { MonomerList } from '../../monomerLibrary/monomerLibraryList'; @@ -42,10 +43,12 @@ const getInitialMonomers = (items) => { const RnaMonomerSection = ({ selectItem, items }: MonomerSectionProps) => { const [selectedMonomers, setSelectedMonomers] = useState(getInitialMonomers(items)); - const [activeMonomerType, setActiveMonomerType] = useState('Nucleotide'); + const [activeMonomerType, setActiveMonomerType] = useState( + Entities.Nucleotide, + ); useEffect(() => { const matchMonomerByType = - activeMonomerType === 'Nucleotide' + activeMonomerType === Entities.Nucleotide ? selectedMonomers : selectedMonomers[activeMonomerType]; selectItem(matchMonomerByType); @@ -53,7 +56,7 @@ const RnaMonomerSection = ({ selectItem, items }: MonomerSectionProps) => { const selectMonomerType = (type) => { if (type === 'reset') { - setActiveMonomerType('Nucleotide'); + setActiveMonomerType(Entities.Nucleotide); setSelectedMonomers(getInitialMonomers(items)); } else { setActiveMonomerType(type); @@ -61,7 +64,7 @@ const RnaMonomerSection = ({ selectItem, items }: MonomerSectionProps) => { }; const selectMonomer = (item) => { - if (activeMonomerType === 'Nucleotide') { + if (activeMonomerType === Entities.Nucleotide) { setSelectedMonomers(item.monomers); } else { setSelectedMonomers((prevState) => { diff --git a/packages/ketcher-macromolecules/src/helpers/countNucleoelents.ts b/packages/ketcher-macromolecules/src/helpers/countNucleoelents.ts new file mode 100644 index 0000000000..94f26b4e5e --- /dev/null +++ b/packages/ketcher-macromolecules/src/helpers/countNucleoelents.ts @@ -0,0 +1,19 @@ +import { Entities, Nucleotide, Nucleoside } from 'ketcher-core'; + +export const getCountOfNucleoelements = ( + selections: T[], +): number => + selections.filter((selection) => { + if (selection.type) { + return ( + selection.type === Entities.Nucleotide || + selection.type === Entities.Nucleoside + ); + } else if (selection.node) { + return ( + selection.node instanceof Nucleotide || + selection.node instanceof Nucleoside + ); + } + return false; + }).length; diff --git a/packages/ketcher-macromolecules/src/state/rna-builder/rnaBuilderSlice.ts b/packages/ketcher-macromolecules/src/state/rna-builder/rnaBuilderSlice.ts index 060f8f9585..9b93d70e1f 100644 --- a/packages/ketcher-macromolecules/src/state/rna-builder/rnaBuilderSlice.ts +++ b/packages/ketcher-macromolecules/src/state/rna-builder/rnaBuilderSlice.ts @@ -21,7 +21,7 @@ import { MonomerGroups } from '../../constants'; import { MonomerItemType, MONOMER_CONST, - LabeledNucleotideWithPositionInSequence, + LabeledNodesWithPositionInSequence, } from 'ketcher-core'; import { localStorageWrapper } from 'helpers/localStorage'; import { FAVORITE_ITEMS_UNIQUE_KEYS } from 'src/constants'; @@ -34,9 +34,9 @@ export type RnaBuilderItem = RnaBuilderPresetsItem | MonomerGroups; interface IRnaBuilderState { activePreset: IRnaPreset | null; - sequenceSelection: LabeledNucleotideWithPositionInSequence[] | undefined; + sequenceSelection: LabeledNodesWithPositionInSequence[] | undefined; sequenceSelectionName: string | undefined; - isSequenceFirstsOnlyNucleotidesSelected: boolean | undefined; + isSequenceFirstsOnlyNucleoelementsSelected: boolean | undefined; activePresetMonomerGroup: { groupName: MonomerGroups; groupItem: MonomerItemType; @@ -52,7 +52,7 @@ const initialState: IRnaBuilderState = { activePreset: null, sequenceSelection: undefined, sequenceSelectionName: undefined, - isSequenceFirstsOnlyNucleotidesSelected: undefined, + isSequenceFirstsOnlyNucleoelementsSelected: undefined, activePresetMonomerGroup: null, presets: [], activeRnaBuilderItem: null, @@ -86,18 +86,18 @@ export const rnaBuilderSlice = createSlice({ }, setSequenceSelection: ( state, - action: PayloadAction, + action: PayloadAction, ) => { state.sequenceSelection = [...action.payload]; }, setSequenceSelectionName: (state, action: PayloadAction) => { state.sequenceSelectionName = action.payload; }, - setIsSequenceFirstsOnlyNucleotidesSelected: ( + setIsSequenceFirstsOnlyNucleoelementsSelected: ( state, action: PayloadAction, ) => { - state.isSequenceFirstsOnlyNucleotidesSelected = action.payload; + state.isSequenceFirstsOnlyNucleoelementsSelected = action.payload; }, setActivePresetForContextMenu: ( state, @@ -251,15 +251,14 @@ export const selectActivePreset = (state: RootState): IRnaPreset => export const selectSequenceSelection = ( state: RootState, -): LabeledNucleotideWithPositionInSequence[] => - state.rnaBuilder.sequenceSelection; +): LabeledNodesWithPositionInSequence[] => state.rnaBuilder.sequenceSelection; export const selectSequenceSelectionName = (state: RootState): string => state.rnaBuilder.sequenceSelectionName; export const selectIsSequenceFirstsOnlyNucleotidesSelected = ( state: RootState, -): boolean => state.rnaBuilder.isSequenceFirstsOnlyNucleotidesSelected; +): boolean => state.rnaBuilder.isSequenceFirstsOnlyNucleoelementsSelected; export const selectPresets = (state: RootState): IRnaPreset[] => { return state.rnaBuilder.presets; @@ -354,7 +353,7 @@ export const { setActivePreset, setSequenceSelection, setSequenceSelectionName, - setIsSequenceFirstsOnlyNucleotidesSelected, + setIsSequenceFirstsOnlyNucleoelementsSelected, setActivePresetName, setActiveRnaBuilderItem, setActivePresetMonomerGroup,