From 4e5df658616ae336307f00d85641c17c026ae2b1 Mon Sep 17 00:00:00 2001 From: Daniil Sloboda Date: Wed, 2 Oct 2024 17:14:08 +0400 Subject: [PATCH] #5296 - Save Support for RDF Format (#5608) * #5296 - Implemented save to rdf, fixed view only 3d mode * #5296 - reverted indigo version * #5296 - updated test snapshot --- .../multi-tailed-arrow-tool.spec.ts | 2 +- ...te-button-is-disabled-1-chromium-linux.png | Bin 22013 -> 22067 bytes .../formatters/formatProperties.ts | 12 +++++++++++ .../formatters/structFormatter.types.ts | 2 ++ .../src/domain/entities/struct.ts | 4 ++++ .../services/struct/structService.types.ts | 1 + .../src/script/ui/action/server.js | 1 + .../modal/components/document/Save/Save.jsx | 5 ++++- .../document/Save/Save.test.utils.tsx | 1 + .../Save/__snapshots__/Save.test.tsx.snap | 20 ++++++++++++++++++ .../modal/components/process/Miew/Miew.tsx | 12 +++++++++-- .../services/struct/indigoWorker.types.ts | 1 + .../struct/standaloneStructService.ts | 3 +++ 13 files changed, 60 insertions(+), 4 deletions(-) diff --git a/ketcher-autotests/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts b/ketcher-autotests/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts index d27690d4b7..8072e05f0a 100644 --- a/ketcher-autotests/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts +++ b/ketcher-autotests/tests/Reactions/Reaction-tools/Multi-Tailed-Arrow-Tool/multi-tailed-arrow-tool.spec.ts @@ -996,7 +996,7 @@ test.describe('Multi-Tailed Arrow Tool', () => { await selectTopPanelButton(TopPanelButton.Save, page); await expect(page.getByText('Save to Templates')).toBeDisabled(); await takeEditorScreenshot(page, { - masks: [page.getByTestId('mol-preview-area-text')], + masks: [page.getByTestId('rxn-preview-area-text')], }); }); diff --git 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SupportedFormatProperties( + 'RDF V2000', + ChemicalMimeType.RDF, + ['.rdf'], + true, + ), + rdfV3000: new SupportedFormatProperties( + 'RDF V3000', + ChemicalMimeType.RDF, + ['.rdf'], + true, + ), }; const imgFormatProperties = { diff --git a/packages/ketcher-core/src/application/formatters/structFormatter.types.ts b/packages/ketcher-core/src/application/formatters/structFormatter.types.ts index be8e91fff0..13429edb00 100644 --- a/packages/ketcher-core/src/application/formatters/structFormatter.types.ts +++ b/packages/ketcher-core/src/application/formatters/structFormatter.types.ts @@ -54,6 +54,8 @@ export enum SupportedFormat { idt = 'idt', helm = 'helm', unknown = 'unknown', + rdf = 'rdf', + rdfV3000 = 'rdfV3000', } export type FormatterFactoryOptions = Partial< diff --git a/packages/ketcher-core/src/domain/entities/struct.ts b/packages/ketcher-core/src/domain/entities/struct.ts index 03a22380d0..cdfeaa10a3 100644 --- a/packages/ketcher-core/src/domain/entities/struct.ts +++ b/packages/ketcher-core/src/domain/entities/struct.ts @@ -114,6 +114,10 @@ export class Struct { return this.rxnArrows.size >= 1; } + hasMultitailArrow(): boolean { + return this.multitailArrows.size >= 1; + } + hasRxnPluses(): boolean { return this.rxnPluses.size > 0; } diff --git a/packages/ketcher-core/src/domain/services/struct/structService.types.ts b/packages/ketcher-core/src/domain/services/struct/structService.types.ts index 31e6acce45..691935cc06 100644 --- a/packages/ketcher-core/src/domain/services/struct/structService.types.ts +++ b/packages/ketcher-core/src/domain/services/struct/structService.types.ts @@ -36,6 +36,7 @@ export enum ChemicalMimeType { PEPTIDE = 'chemical/x-peptide-sequence', IDT = 'chemical/x-idt', HELM = 'chemical/x-helm', + RDF = 'chemical/x-rdf', } export interface WithStruct { diff --git a/packages/ketcher-react/src/script/ui/action/server.js b/packages/ketcher-react/src/script/ui/action/server.js index 669aaded0d..f63743e4af 100644 --- a/packages/ketcher-react/src/script/ui/action/server.js +++ b/packages/ketcher-react/src/script/ui/action/server.js @@ -89,6 +89,7 @@ const config = { }, miew: { title: '3D Viewer', + enabledInViewOnly: true, action: { dialog: 'miew' }, hidden: (options) => isHidden(options, 'miew'), }, diff --git a/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.jsx b/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.jsx index b07a06520e..dcc4bc89fc 100644 --- a/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.jsx +++ b/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.jsx @@ -78,7 +78,8 @@ class SaveDialog extends Component { tabIndex: 0, isLoading: true, }; - this.isRxn = this.props.struct.hasRxnArrow(); + this.isRxn = + this.props.struct.hasRxnArrow() || this.props.struct.hasMultitailArrow(); this.textAreaRef = createRef(); const formats = !this.props.server @@ -89,6 +90,8 @@ class SaveDialog extends Component { this.isRxn ? 'rxnV3000' : 'molV3000', 'sdf', 'sdfV3000', + 'rdf', + 'rdfV3000', 'smarts', 'smiles', 'smilesExt', diff --git a/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.test.utils.tsx b/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.test.utils.tsx index 5e314edbf7..fb7133cf69 100644 --- a/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.test.utils.tsx +++ b/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/Save.test.utils.tsx @@ -20,6 +20,7 @@ const initialState = { editor: { struct: () => ({ hasRxnArrow: () => false, + hasMultitailArrow: () => false, isBlank: () => true, atoms: { size: 0 }, bonds: { size: 0 }, diff --git a/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/__snapshots__/Save.test.tsx.snap b/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/__snapshots__/Save.test.tsx.snap index b489eb67fe..fa47c74c78 100644 --- a/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/__snapshots__/Save.test.tsx.snap +++ b/packages/ketcher-react/src/script/ui/views/modal/components/document/Save/__snapshots__/Save.test.tsx.snap @@ -242,6 +242,26 @@ Object { > SDF V3000 +
  • + RDF V2000 +
    • +
  • + RDF V3000 +
  • { const miewRef = useRef(); const [isInitialized, setIsIsInitialized] = useState(false); + const ketcher = ketcherProvider.getKetcher(); + + const isDisabled = useMemo(() => { + return ( + !isInitialized || ketcher?.editor.render.options.viewOnlyMode === true + ); + }, [ketcher, isInitialized]); const onMiewInit = useCallback( (miew: MiewAsType) => { @@ -163,7 +171,7 @@ const MiewDialog = ({ key="apply" onClick={exportCML} className={classes.applyButton} - disabled={!isInitialized} + disabled={isDisabled} data-testid="miew-modal-button" > Apply diff --git a/packages/ketcher-standalone/src/infrastructure/services/struct/indigoWorker.types.ts b/packages/ketcher-standalone/src/infrastructure/services/struct/indigoWorker.types.ts index aac28fe4d5..3717ef3dbd 100644 --- a/packages/ketcher-standalone/src/infrastructure/services/struct/indigoWorker.types.ts +++ b/packages/ketcher-standalone/src/infrastructure/services/struct/indigoWorker.types.ts @@ -68,6 +68,7 @@ export enum SupportedFormat { SEQUENCE = 'sequence', IDT = 'idt', HELM = 'helm', + RDF = 'rdf', } export interface WithStruct { diff --git a/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts b/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts index 39fec01798..25a20d21f8 100644 --- a/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts +++ b/packages/ketcher-standalone/src/infrastructure/services/struct/standaloneStructService.ts @@ -150,6 +150,9 @@ function convertMimeTypeToOutputFormat( format = SupportedFormat.HELM; break; } + case ChemicalMimeType.RDF: + format = SupportedFormat.RDF; + break; case ChemicalMimeType.UNKNOWN: default: { throw new Error('Unsupported chemical mime type');