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a/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/implicit-hydrogen-after-aromatize.spec.ts-snapshots/Shows-correctly-implicit-Hydrogen-after-aromatize-for-third-ket-1-chromium-linux.png and b/ketcher-autotests/tests/Indigo-Tools/Aromatize-Dearomatize/implicit-hydrogen-after-aromatize.spec.ts-snapshots/Shows-correctly-implicit-Hydrogen-after-aromatize-for-third-ket-1-chromium-linux.png differ diff --git a/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts b/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts index 317cfaec98..da2493df8d 100644 --- a/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts +++ b/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts @@ -352,8 +352,9 @@ test.describe('Indigo Tools - Calculate CIP Tool', () => { Description: New stereobond is added to the Chain structure. */ await openFileAndAddToCanvas('chain-with-stereo-bonds.mol', page); - await selectTopPanelButton(TopPanelButton.Calculate, page); - await delay(DELAY_IN_SECONDS.TWO); + await waitForSpinnerFinishedWork(page, async () => { + await selectTopPanelButton(TopPanelButton.Calculate, page); + }); await selectNestedTool(page, BondTool.UP); const point = await getBondByIndex(page, { type: BondType.SINGLE }, 5); await page.mouse.click(point.x, point.y); diff --git a/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts-snapshots/Indigo-Tools---Calculate-CIP-Tool-1-structure-7ded6-tereo-labels-various-structure-combinations-1-chromium-linux.png b/ketcher-autotests/tests/Indigo-Tools/Calculate-CIP-Tool/calculate-cip-tool.spec.ts-snapshots/Indigo-Tools---Calculate-CIP-Tool-1-structure-7ded6-tereo-labels-various-structure-combinations-1-chromium-linux.png index c643171f7a..a8f354ab96 100644 Binary files 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b/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts-snapshots/Open-Ketcher-Verify-Aromatize-and-Dearomatize-icons-2-chromium-linux.png differ diff --git a/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts-snapshots/Open-Ketcher-Verify-Aromatize-and-Dearomatize-icons-3-chromium-linux.png b/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts-snapshots/Open-Ketcher-Verify-Aromatize-and-Dearomatize-icons-3-chromium-linux.png index 8ce6f2981a..5196637b88 100644 Binary files a/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts-snapshots/Open-Ketcher-Verify-Aromatize-and-Dearomatize-icons-3-chromium-linux.png and b/ketcher-autotests/tests/User-Interface/Toolbar/toolbar-ui.spec.ts-snapshots/Open-Ketcher-Verify-Aromatize-and-Dearomatize-icons-3-chromium-linux.png differ diff --git a/ketcher-autotests/tests/test-data/KET/structure-with-stereo-bonds-expected.ket b/ketcher-autotests/tests/test-data/KET/structure-with-stereo-bonds-expected.ket index 66f0ad1dfc..e15ae46b75 100644 --- a/ketcher-autotests/tests/test-data/KET/structure-with-stereo-bonds-expected.ket +++ b/ketcher-autotests/tests/test-data/KET/structure-with-stereo-bonds-expected.ket @@ -14,24 +14,24 @@ { "label": "C", "location": [ - 11.775473354321095, - -8.187600977368211, + 12.101912830334278, + -7.750100691265916, 0 ] }, { "label": "C", "location": [ - 12.641368581131388, - -8.68759904432894, + 12.967808057144572, + -8.250098758226644, 0 ] }, { "label": "C", "location": [ - 13.507464079537838, - -8.187600977368211, + 13.833903555551021, + -7.750100691265916, 0 ], "cip": "R", @@ -40,8 +40,8 @@ { "label": "C", "location": [ - 14.373459442146208, - -8.68759904432894, + 14.699898918159391, + -8.250098758226644, 0 ], "cip": "S", @@ -50,40 +50,40 @@ { "label": "C", "location": [ - 15.23945480475458, - -8.187600977368211, + 15.565894280767763, + -7.750100691265916, 0 ] }, { "label": "C", "location": [ - 16.105551256835295, - -8.68759904432894, + 16.43199073284848, + -8.250098758226644, 0 ] }, { "label": "C", "location": [ - 16.97164580156748, - -8.187600977368211, + 17.29808527758066, + -7.750100691265916, 0 ] }, { "label": "C", "location": [ - 13.507464079537838, - -7.187506614997213, + 13.833903555551021, + -6.750006328894918, 0 ] }, { "label": "C", "location": [ - 14.373459442146208, - -9.687493135103784, + 14.699898918159391, + -9.249992849001488, 0 ] } @@ -147,11 +147,6 @@ ], "stereo": 6 } - ], - "stereoFlagPosition": { - "x": 16.97164580156748, - "y": 6.187506614997213, - "z": 0 - } + ] } } \ No newline at end of file diff --git a/ketcher-autotests/tests/test-data/structure-with-stereo-bonds-expectedV2000.mol b/ketcher-autotests/tests/test-data/structure-with-stereo-bonds-expectedV2000.mol index e74547f223..a2a6d1b745 100644 --- a/ketcher-autotests/tests/test-data/structure-with-stereo-bonds-expectedV2000.mol +++ b/ketcher-autotests/tests/test-data/structure-with-stereo-bonds-expectedV2000.mol @@ -1,5 +1,5 @@ - Ketcher 10152310222D 1 1.00000 0.00000 0 + Ketcher 1 52414 52D 1 1.00000 0.00000 0 9 8 0 0 0 0 0 0 0 0999 V2000 12.1019 -7.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/ketcher-autotests/tests/test-data/structure-with-stereo-bonds-expectedV3000.mol b/ketcher-autotests/tests/test-data/structure-with-stereo-bonds-expectedV3000.mol index 0f9571f2b4..38d873c8d4 100644 --- a/ketcher-autotests/tests/test-data/structure-with-stereo-bonds-expectedV3000.mol +++ b/ketcher-autotests/tests/test-data/structure-with-stereo-bonds-expectedV3000.mol @@ -1,5 +1,5 @@ - -INDIGO-10152310232D + -INDIGO-01052414052D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB diff --git a/packages/ketcher-core/src/application/editor/editor.types.ts b/packages/ketcher-core/src/application/editor/editor.types.ts index 23bd949fe0..0cd4df8194 100644 --- a/packages/ketcher-core/src/application/editor/editor.types.ts +++ b/packages/ketcher-core/src/application/editor/editor.types.ts @@ -32,7 +32,7 @@ export type FloatingToolsParams = { export interface Editor { isDitrty: () => boolean; setOrigin: () => void; - struct: (struct?: Struct) => Struct; + struct: (struct?: Struct, needToCenterStruct?: boolean) => Struct; structToAddFragment: (struct: Struct) => Struct; subscribe: (eventName: string, handler: (data?: any) => any) => any; unsubscribe: (eventName: string, subscriber: any) => void; diff --git a/packages/ketcher-react/src/script/editor/Editor.ts b/packages/ketcher-react/src/script/editor/Editor.ts index 288fcc0d17..e3e61c1797 100644 --- a/packages/ketcher-react/src/script/editor/Editor.ts +++ b/packages/ketcher-react/src/script/editor/Editor.ts @@ -267,14 +267,16 @@ class Editor implements KetcherEditor { this.struct(undefined); } - renderAndRecoordinateStruct(struct: Struct) { + renderAndRecoordinateStruct(struct: Struct, needToCenterStruct = true) { const action = fromNewCanvas(this.render.ctab, struct); this.update(action); - this.centerStruct(); + if (needToCenterStruct) { + this.centerStruct(); + } return this.render.ctab.molecule; } - struct(value?: Struct): Struct { + struct(value?: Struct, needToCenterStruct = true): Struct { if (arguments.length === 0) { return this.render.ctab.molecule; } @@ -282,7 +284,10 @@ class Editor implements KetcherEditor { this.selection(null); const struct = value || new Struct(); - const molecule = this.renderAndRecoordinateStruct(struct); + const molecule = this.renderAndRecoordinateStruct( + struct, + needToCenterStruct, + ); this.hoverIcon.create(); return molecule; diff --git a/packages/ketcher-react/src/script/ui/state/server/index.js b/packages/ketcher-react/src/script/ui/state/server/index.js index 6c5bc2e2f7..0f30f314ef 100644 --- a/packages/ketcher-react/src/script/ui/state/server/index.js +++ b/packages/ketcher-react/src/script/ui/state/server/index.js @@ -152,6 +152,7 @@ export function serverTransform(method, data, struct) { load(loadedStruct, { rescale: method === 'layout', reactionRelayout: method === 'clean', + method, }), ); }) diff --git a/packages/ketcher-react/src/script/ui/state/shared.ts b/packages/ketcher-react/src/script/ui/state/shared.ts index d90d7ca170..54b05d7ae4 100644 --- a/packages/ketcher-react/src/script/ui/state/shared.ts +++ b/packages/ketcher-react/src/script/ui/state/shared.ts @@ -102,7 +102,7 @@ export function load(struct: Struct, options?) { const server = state.server; const errorHandler = editor.errorHandler; options = options || {}; - let { isPaste, ...otherOptions } = options; + let { isPaste, method, ...otherOptions } = options; otherOptions = { ...otherOptions, 'dearomatize-on-load': editor.options()['dearomatize-on-load'], @@ -170,11 +170,13 @@ export function load(struct: Struct, options?) { dispatch(onAction({ tool: 'paste', opts: parsedStruct })); } } else { - editor.struct(parsedStruct); + editor.struct(parsedStruct, method === 'layout'); } editor.zoomAccordingContent(parsedStruct); - if (!isPaste) { + + const isIndigoFunctionCalled = !!method; + if (!isPaste && !isIndigoFunctionCalled) { editor.centerStruct(); }