From 62d6acaaeed4dd0d41809a5b55babcae3308a3ec Mon Sep 17 00:00:00 2001 From: Konstantin Levin Date: Tue, 5 Sep 2023 09:37:41 +0200 Subject: [PATCH] #3129 - Full template preview following mouse cursor --- ...er-setMolecule-method-1-chromium-linux.png | Bin 7884 -> 7878 bytes ...en-adding-single-bond-1-chromium-linux.png | Bin 9099 -> 9446 bytes .../opening-inchi-files-1-chromium-linux.png | Bin 12113 -> 12155 bytes .../opening-molfile-1-chromium-linux.png | Bin 19894 -> 19104 bytes .../opening-rnx-files-1-chromium-linux.png | Bin 19925 -> 19230 bytes .../opening-smi-files-1-chromium-linux.png | Bin 12159 -> 12112 bytes ...L-for-some-structures-1-chromium-linux.png | Bin 12573 -> 12359 bytes ...L---CML-for-structure-1-chromium-linux.png | Bin 8021 -> 7846 bytes ...ins-some-triple-bonds-1-chromium-linux.png | Bin 7546 -> 7566 bytes ...ins-some-double-bonds-1-chromium-linux.png | Bin 15627 -> 14555 bytes ...ith-single-bonds-only-1-chromium-linux.png | Bin 6406 -> 7056 bytes ...r-multiple-structures-1-chromium-linux.png | Bin 12839 -> 12664 bytes ...ith-single-bonds-only-1-chromium-linux.png | Bin 10584 -> 10048 bytes ...ing---Fused-structure-1-chromium-linux.png | Bin 8559 -> 13020 bytes ...ing---Spiro-structure-1-chromium-linux.png | Bin 7390 -> 10028 bytes ...ture-with-stereobonds-1-chromium-linux.png | Bin 38805 -> 38760 bytes ...s-without-stereobonds-1-chromium-linux.png | Bin 17608 -> 17810 bytes ...Groups-with-Fragments-1-chromium-linux.png | Bin 16720 -> 16023 bytes ...breviation-1-2---open-1-chromium-linux.png | Bin 9726 -> 9481 bytes ...properties-1-2---open-1-chromium-linux.png | Bin 16243 -> 15890 bytes ...breviation-1-2---open-1-chromium-linux.png | Bin 9682 -> 9387 bytes ...ochemistry-1-2---open-1-chromium-linux.png | Bin 38052 -> 37156 bytes ...ached-data-1-2---open-1-chromium-linux.png | Bin 13767 -> 13303 bytes ...ochemistry-1-2---open-1-chromium-linux.png | Bin 35194 -> 34401 bytes ...ached-data-1-2---open-1-chromium-linux.png | Bin 13738 -> 13206 bytes ...h-R-Groups-1-2---open-1-chromium-linux.png | Bin 16693 -> 15977 bytes ...eteroatoms-1-2---open-1-chromium-linux.png | Bin 9091 -> 8935 bytes ...properties-1-2---open-1-chromium-linux.png | Bin 24003 -> 22435 bytes ...h-RBC-SUB-UNC-queries-1-chromium-linux.png | Bin 13777 -> 14134 bytes ...nput-InChi-string-1-3-1-chromium-linux.png | Bin 10584 -> 10048 bytes ...nput-InChi-string-2-3-1-chromium-linux.png | Bin 10584 -> 10048 bytes ...nput-InChi-string-3-3-1-chromium-linux.png | Bin 6877 -> 8176 bytes ...ile---Input-mol-InChi-1-chromium-linux.png | Bin 20968 -> 20369 bytes ...s-opening-inchi-files-1-chromium-linux.png | Bin 12113 -> 12155 bytes ...ats-opening-rxn-files-1-chromium-linux.png | Bin 19925 -> 19230 bytes ...ats-opening-smi-files-1-chromium-linux.png | Bin 12159 -> 12112 bytes ...eteroatoms-1-2---open-1-chromium-linux.png | Bin 15149 -> 14662 bytes ...breviation-1-2---open-1-chromium-linux.png | Bin 18894 -> 17504 bytes ...ins-Rgroup-1-2---open-1-chromium-linux.png | Bin 11350 -> 11192 bytes ...nd-place-it-on-canvas-1-chromium-linux.png | Bin 8841 -> 8633 bytes ...nd-place-it-on-canvas-1-chromium-linux.png | Bin 8893 -> 8647 bytes ...XML-by-Open-Structure-1-chromium-linux.png | Bin 9643 -> 12589 bytes ...l-file-with-structure-1-chromium-linux.png | Bin 12660 -> 12410 bytes ...ure-in-another-editor-1-chromium-linux.png | Bin 15517 -> 15119 bytes ...tMolecule-Paste-CDXML-1-chromium-linux.png | Bin 15517 -> 15119 bytes ...-with-Atom-properties-2-chromium-linux.png | Bin 12460 -> 11819 bytes ...-with-Bond-properties-2-chromium-linux.png | Bin 15480 -> 12949 bytes ...s-abs-stereochemistry-2-chromium-linux.png | Bin 37201 -> 36855 bytes ...s-Trans-configuration-2-chromium-linux.png | Bin 18133 -> 16745 bytes ...-contains-Heteroatoms-2-chromium-linux.png | Bin 9127 -> 8999 bytes ...rcle-inside-the-cycle-1-chromium-linux.png | Bin 24208 -> 23791 bytes ...rcle-inside-the-cycle-1-chromium-linux.png | Bin 24174 -> 23788 bytes ...rcle-inside-the-cycle-1-chromium-linux.png | Bin 24208 -> 23791 bytes ...rcle-inside-the-cycle-1-chromium-linux.png | Bin 29336 -> 28354 bytes ...rcle-inside-the-cycle-1-chromium-linux.png | Bin 29385 -> 28461 bytes ...rcle-inside-the-cycle-1-chromium-linux.png | Bin 12284 -> 16985 bytes ...preview-for-abbreviated-structures.spec.ts | 27 ++++ .../src/application/editor/actions/paste.ts | 2 + .../application/editor/actions/template.ts | 8 +- .../src/application/editor/shared/utils.ts | 3 +- .../ketcher-core/src/domain/entities/vec2.ts | 6 +- .../src/script/editor/shared/closest.js | 19 ++- .../src/script/editor/tool/template.ts | 149 ++++++++++++++++-- 63 files changed, 191 insertions(+), 23 deletions(-) diff --git a/ketcher-autotests/tests/API/api-set-get-molecule.spec.ts-snapshots/Tests-for-API-setMolecule-getMolecule-Add-a-mo-608ea-properties-using-ketcher-setMolecule-method-1-chromium-linux.png 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zpcY+_{)xBH5}YiIf}D+aH{4kE;t5Fq$BqX(Z?yRre@C81&d~H_q|vg0sHXG~9p}h9 zJO`bXhLoMtQ0hHzbc0*Y`H!ore!$}qKobc|?+o<)?NeLwwa5>UU@AvfYV4ZxkMkXb zO(TO~pR}l-f7pYJCCDFn1RTFH?2f(zWhmL_XAy7-@MzG#2&%qO<4#-2MisLGvKof0 zCd;Ozi3R_{G0o|ca;9^rk{qj)!bGU>>2x4D@blCItReVuf;+;`F=UWq*zZr_-TfBU+7 { await delay(DELAY_IN_SECONDS.ONE); await takeEditorScreenshot(page); }); + + test('Should show a preview following the mouse cursor', async ({ page }) => { + const bondId = 2; + await selectRingButton(RingButton.Benzene, page); + const bondPosition = await getBondByIndex( + page, + { type: BondType.SINGLE }, + bondId, + ); + const pointAwayFromBond = { x: bondPosition.x + 100, y: bondPosition.y + 100 }; + await page.mouse.move(pointAwayFromBond.x, pointAwayFromBond.y); + await takeEditorScreenshot(page); + }); + + test('Should show a preview following the mouse cursor and hide it when a bond is hovered over', async ({ page }) => { + const bondId = 2; + await selectRingButton(RingButton.Benzene, page); + const bondPosition = await getBondByIndex( + page, + { type: BondType.SINGLE }, + bondId, + ); + const pointAwayFromBond = { x: bondPosition.x + 100, y: bondPosition.y + 100 }; + await takeEditorScreenshot(page); + await page.mouse.move(pointAwayFromBond.x, pointAwayFromBond.y); + await takeEditorScreenshot(page); + }); }); diff --git a/packages/ketcher-core/src/application/editor/actions/paste.ts b/packages/ketcher-core/src/application/editor/actions/paste.ts index a8f14686cf..437204080f 100644 --- a/packages/ketcher-core/src/application/editor/actions/paste.ts +++ b/packages/ketcher-core/src/application/editor/actions/paste.ts @@ -26,6 +26,7 @@ import { TextCreate, CalcImplicitH, FragmentSetProperties, + BondAttr, } from '../operations'; import { fromRGroupAttrs, fromUpdateIfThen } from './rgroup'; @@ -114,6 +115,7 @@ export function fromPaste( action.addOp(operation); pasteItems.bonds.push(operation.data.bid); + new BondAttr(operation.data.bid, 'isPreview', true).perform(restruct); }); pasteItems.atoms.forEach((aid) => { diff --git a/packages/ketcher-core/src/application/editor/actions/template.ts b/packages/ketcher-core/src/application/editor/actions/template.ts index cd90693065..6acde5d30b 100644 --- a/packages/ketcher-core/src/application/editor/actions/template.ts +++ b/packages/ketcher-core/src/application/editor/actions/template.ts @@ -26,16 +26,17 @@ import { fromAromaticTemplateOnBond } from './aromaticFusing'; import { fromPaste } from './paste'; import utils from '../shared/utils'; import { fromSgroupAddition } from './sgroup'; +import { ReStruct } from 'application/render'; const benzeneMoleculeName = 'Benzene'; const cyclopentadieneMoleculeName = 'Cyclopentadiene'; const benzeneDoubleBondIndexes = [1, 4]; export function fromTemplateOnCanvas( - restruct, + restruct: ReStruct, template, - pos, - angle, + pos: Vec2, + angle = 0, ): [Action, { atoms: number[]; bonds: number[] }] { const [action, pasteItems] = fromPaste( restruct, @@ -153,6 +154,7 @@ export function fromTemplateOnAtom( map.set(id, operation.data.aid); pasteItems.atoms.push(operation.data.aid); } + // new AtomAttr(id, 'isPreview', isPreview).perform(restruct); }); if (!isTmplSingleGroup) mergeSgroups(action, restruct, pasteItems.atoms, aid); diff --git a/packages/ketcher-core/src/application/editor/shared/utils.ts b/packages/ketcher-core/src/application/editor/shared/utils.ts index 0493b7a9b3..ef9d8a70b3 100644 --- a/packages/ketcher-core/src/application/editor/shared/utils.ts +++ b/packages/ketcher-core/src/application/editor/shared/utils.ts @@ -24,7 +24,8 @@ function setFracAngle(angle: number): void { FRAC = (Math.PI / 180) * angle; } -function calcAngle(pos0: Vec2, pos1: Vec2): number { +function calcAngle(pos0: Vec2 | null, pos1: Vec2 | null): number { + if (!pos0 || !pos1) return 0; const v = Vec2.diff(pos1, pos0); return Math.atan2(v.y, v.x); } diff --git a/packages/ketcher-core/src/domain/entities/vec2.ts b/packages/ketcher-core/src/domain/entities/vec2.ts index 1609274b05..ce8d14cc7e 100644 --- a/packages/ketcher-core/src/domain/entities/vec2.ts +++ b/packages/ketcher-core/src/domain/entities/vec2.ts @@ -149,7 +149,11 @@ export class Vec2 { } sub(v: Vec2): Vec2 { - return new Vec2(this.x - v.x, this.y - v.y, this.z - v.z); + return new Vec2( + Number((this.x - v.x).toFixed(8)), + Number((this.y - v.y).toFixed(8)), + this.z - v.z, + ); } scaled(s: number): Vec2 { diff --git a/packages/ketcher-react/src/script/editor/shared/closest.js b/packages/ketcher-react/src/script/editor/shared/closest.js index 906703e5e4..1d2fe6cbde 100644 --- a/packages/ketcher-react/src/script/editor/shared/closest.js +++ b/packages/ketcher-react/src/script/editor/shared/closest.js @@ -181,8 +181,11 @@ function findClosestBond(restruct, pos, skip, minDist, options) { let minCDist = minDist; - restruct.bonds.forEach((bond, bid) => { - if (bid === skipId) return; + restruct.bonds.forEach((bond, bondId) => { + if (bond.b.isPreview && !bond.hover) { + return; + } + if (bondId === skipId) return; const p1 = restruct.atoms.get(bond.b.begin).a.pp; const p2 = restruct.atoms.get(bond.b.end).a.pp; @@ -208,7 +211,7 @@ function findClosestBond(restruct, pos, skip, minDist, options) { if (isPosInsidePolygon) { minCDist = cdist; - closestBondCenter = bid; + closestBondCenter = bondId; } const hb = restruct.molecule.halfBonds.get(bond.b.hb1); @@ -222,7 +225,7 @@ function findClosestBond(restruct, pos, skip, minDist, options) { const dist = Math.abs(Vec2.dot(pos.sub(p1), norm)); if (dist < minDist) { - closestBond = bid; + closestBond = bondId; minDist = dist; } } @@ -542,13 +545,17 @@ function findCloseMerge( }; const struct = restruct.molecule; - selected.atoms.forEach((aid) => { - pos.atoms.set(aid, struct.atoms.get(aid).pp); + if (struct.atoms.get(aid)) { + pos.atoms.set(aid, struct.atoms.get(aid).pp); + } }); selected.bonds.forEach((bid) => { const bond = struct.bonds.get(bid); + if (!struct.bonds.get(bid)) { + return; + } pos.bonds.set( bid, Vec2.lc2( diff --git a/packages/ketcher-react/src/script/editor/tool/template.ts b/packages/ketcher-react/src/script/editor/tool/template.ts index 9b8a4f943f..7bc383a752 100644 --- a/packages/ketcher-react/src/script/editor/tool/template.ts +++ b/packages/ketcher-react/src/script/editor/tool/template.ts @@ -31,13 +31,97 @@ import { Action, vectorUtils, Bond, + fromMultipleMove, + BondAttr, + ReBond, } from 'ketcher-core'; import Editor from '../Editor'; import { getGroupIdsFromItemArrays } from './helper/getGroupIdsFromItems'; import { MODES } from 'src/constants'; import { Tool } from './Tool'; -export const PREVIEW_DELAY = 300; +export const PREVIEW_DELAY = 200; + +export function dropAndMerge( + editor: Editor, + mergeItems: any, + action?: Action, + resizeCanvas?: boolean, +): Action { + const restruct = editor.render.ctab; + const isMerging = !!mergeItems; + let dropItemAction = new Action(); + + if (isMerging) { + if (mergeItems.atomToFunctionalGroup) { + const [newMergeItems, extractAttachmentAtomAction] = + extractAttachmentAtom(mergeItems, editor); + mergeItems = newMergeItems; + dropItemAction = dropItemAction.mergeWith(extractAttachmentAtomAction); + } + dropItemAction = fromItemsFuse(restruct, mergeItems).mergeWith( + dropItemAction, + ); + } + + if (action) { + dropItemAction = dropItemAction.mergeWith(action); + } + + const bonds = editor.selection()?.bonds ?? []; + for (const bondId of bonds) { + const rebond = restruct.bonds.get(bondId); + if (rebond) { + ReBond.bondRecalc(rebond, restruct, editor.options()); + } + } + + editor.hover(null); + if (isMerging) editor.selection(null); + + if (dropItemAction?.operations.length > 0) { + editor.update(dropItemAction, false, { resizeCanvas: !!resizeCanvas }); + } + + return dropItemAction; +} + +function extractAttachmentAtom(mergeItems, editor: Editor) { + const struct = editor.struct(); + const reStruct = editor.render.ctab; + + const newMergeItems = { + atoms: new Map(mergeItems.atoms), + bonds: new Map(mergeItems.bonds), + }; + + const action = new Action(); + + mergeItems.atomToFunctionalGroup?.forEach((functionalGroupId, srcAtomId) => { + const sGroup = struct.sgroups.get(functionalGroupId) as SGroup; + + const { atomId: positionAtomId } = sGroup.getContractedPosition( + reStruct.molecule, + ); + + if (positionAtomId !== undefined) { + const atomsToDelete = [...SGroup.getAtoms(struct, sGroup)].filter( + (atomId) => atomId !== positionAtomId, + ); + const bondsToDelete = [...SGroup.getBonds(struct, sGroup)]; + action.mergeWith(fromSgroupDeletion(reStruct, functionalGroupId)); + action.mergeWith( + fromFragmentDeletion(reStruct, { + atoms: atomsToDelete, + bonds: bondsToDelete, + }), + ); + newMergeItems.atoms.set(srcAtomId, positionAtomId); + } + }); + + return [newMergeItems, action] as const; +} function getBondFlipSign(struct: Struct, bond: Bond): number { const xy0 = new Vec2(); @@ -122,12 +206,24 @@ class TemplateTool implements Tool { private readonly isSaltOrSolvent: boolean; private event: Event | undefined; + private templateSet: boolean; + private pasteItems: any; + private eventPos: Vec2; + private prevEventPos: Vec2; + private createPreviewAction: any; + constructor(editor: Editor, tmpl) { this.editor = editor; this.isPreviewVisible = false; this.previewRemoveAction = new Action(); this.previewTimeout = null; this.lastPreviewId = null; + + this.templateSet = false; + this.pasteItems = null; + this.eventPos = new Vec2(); + this.prevEventPos = new Vec2(); + this.mode = getTemplateMode(tmpl); this.editor.selection(null); this.isSaltOrSolvent = SGroup.isSaltOrSolvent(tmpl.struct.name); @@ -301,10 +397,7 @@ class TemplateTool implements Tool { ); const restruct = this.editor.render.ctab; const ci = this.editor.findItem(event, ['atoms', 'bonds']); - - if (!ci) { - this.editor.hoverIcon.show(); - } + this.eventPos = this.editor.render.page2obj(event); const isMouseAwayFromAtomsAndBonds = !ci; const isPreviewTargetChanged = @@ -313,9 +406,6 @@ class TemplateTool implements Tool { isMouseAwayFromAtomsAndBonds || isPreviewTargetChanged; if (shouldHidePreview) { this.hidePreview(); - if (!this.editor.hoverIcon.isShown) { - this.editor.hoverIcon.show(); - } } const shouldShowPreview = @@ -328,10 +418,35 @@ class TemplateTool implements Tool { this.lastPreviewId = getUniqueCiId(ci); this.previewTimeout = setTimeout(() => { + if (this.createPreviewAction) { + const test = this.createPreviewAction.perform(restruct); + this.editor.update(test, false); + this.templateSet = false; + } this.showPreview(event, ci, restruct); }, PREVIEW_DELAY); + } else { + const mergeItems = getItemsToFuse(this.editor, this.pasteItems); + let action: any = null; + if (!this.templateSet && shouldHidePreview && !shouldShowPreview) { + [action, this.pasteItems] = fromTemplateOnCanvas( + restruct, + this.template, + this.editor.render.page2obj(event), + ); + this.prevEventPos = this.editor.render.page2obj(event); + this.createPreviewAction = action; + + dropAndMerge(this.editor, mergeItems, action, false); + this.editor.render.update(action, null, { resizeCanvas: false }); + this.templateSet = true; + } else if (this.pasteItems && shouldHidePreview) { + const dist = this.eventPos.sub(this.prevEventPos); + this.prevEventPos = this.eventPos; + action = fromMultipleMove(restruct, this.pasteItems, dist); + this.editor.render.update(action, null, { resizeCanvas: false }); + } } - return true; } @@ -557,16 +672,21 @@ class TemplateTool implements Tool { ci = { map: 'atoms', id: sGroupPositionAtomId }; } - if (!dragCtx.action) { if (!ci) { - // ci.type == 'Canvas' - [action, pasteItems] = fromTemplateOnCanvas( + const result = fromTemplateOnCanvas( restruct, this.template, dragCtx.xy0, 0, ); + action = result[0]; + const pasteItems = result[1]; + for (const bid of pasteItems.bonds || []) { + new BondAttr(bid, 'isPreview', false).perform( + this.editor.render.ctab, + ); + } dragCtx.action = action; } else if (ci.map === 'atoms') { const degree = restruct.atoms.get(ci.id)?.a.neighbors.length; @@ -637,6 +757,11 @@ class TemplateTool implements Tool { } cancel() { + if (this.createPreviewAction && this.templateSet) { + const test = this.createPreviewAction.perform(this.editor.render.ctab); + this.editor.update(test, false); + this.templateSet = false; + } this.hidePreview(); this.mouseup(); }