#197 - attachment points should be within r group brackets

packages/ketcher-core/__tests__/application/editor/actions/bond.test.ts

@@ -1,6 +1,6 @@
 import * as utils from 'application/editor/actions/utils';
 
-import { restruct, singleBond } from './data';
+import { restruct, singleBond } from '../../../mock-data';
 import { fromBondAddition } from 'application/editor/actions';
 
 // eslint-disable-next-line @typescript-eslint/no-explicit-any

packages/ketcher-core/__tests__/application/render/restruct/rergroup.test.ts

@@ -0,0 +1,19 @@
+import { ReRGroup, ReStruct } from 'application/render/restruct';
+import { restruct } from '../../../mock-data';
+import { RGroup } from 'domain/entities';
+import { mock, mockFn } from 'jest-mock-extended';
+import { Render } from 'src';
+
+describe('rergroup should calculate R-Group bounding box correctly', () => {
+  it('should calculate R-Group attachments points bounding box', () => {
+    const render = mock<Render>();
+    render.ctab = { ...restruct.molecule } as unknown as ReStruct;
+    const rGroup = new RGroup();
+    rGroup.frags.add(0);
+    const rerGroup = new ReRGroup(rGroup);
+    rerGroup.getAtoms = mockFn().mockReturnValue(restruct.molecule.atoms);
+    const attachmentsSpy = jest.spyOn(render.ctab, 'getAttachmentsPointsVBox');
+    rerGroup.calcBBox(render);
+    expect(attachmentsSpy).toHaveBeenCalled();
+  });
+});

packages/ketcher-core/__tests__/domain/entities/sgroup.test.ts

@@ -0,0 +1,17 @@
+import { ReStruct } from 'application/render/restruct';
+import { restruct } from '../../mock-data';
+import { SGroup } from 'domain/entities';
+import { mock } from 'jest-mock-extended';
+import { Render } from 'src';
+
+describe('sgroup should calculate S-Group bounding box correctly', () => {
+  it('should calculate S-Group attachments points bounding box', () => {
+    const render = mock<Render>();
+    render.ctab = { ...restruct.molecule } as unknown as ReStruct;
+    const sGroup = new SGroup('MUL');
+    sGroup.atoms = [0, 1, 2, 3, 4];
+    const attachmentsSpy = jest.spyOn(render.ctab, 'getAttachmentsPointsVBox');
+    SGroup.bracketPos(sGroup, restruct.molecule, {}, undefined, render);
+    expect(attachmentsSpy).toHaveBeenCalled();
+  });
+});

packages/ketcher-core/__tests__/application/editor/actions/data.ts → packages/ketcher-core/__tests__/mock-data.ts

@@ -1,7 +1,8 @@
 /* eslint-disable @typescript-eslint/no-empty-function */
 import { ReAtom, ReBond } from 'application/render';
 
-import { Pool } from 'domain/entities';
+import { Box2Abs, Pool, Vec2 } from 'domain/entities';
+import { mockFn } from 'jest-mock-extended';
 
 const mockAtoms = [
   {
@@ -634,6 +635,18 @@ const mockFrags = [
     stereoFlagPosition: undefined,
     enhancedStereoFlag: 'ABS',
     updateStereoFlag() {},
+    calcBBox: mockFn().mockReturnValue({
+      p0: {
+        x: 4,
+        y: 6,
+        z: 0,
+      },
+      p1: {
+        x: 6,
+        y: 8,
+        z: 0,
+      },
+    }),
   },
 ];
 const frags = new Map();
@@ -680,11 +693,26 @@ const molecule = {
   bondInitHalfBonds() {},
   atomAddNeighbor() {},
   setImplicitHydrogen() {},
+  getAttachmentsPointsVBox: mockFn().mockReturnValue(
+    new Box2Abs(
+      new Vec2({
+        x: 6,
+        y: 7,
+        z: 0,
+      }),
+      new Vec2({
+        x: 7,
+        y: 9,
+        z: 0,
+      }),
+    ),
+  ),
 };
 
 export const restruct = {
   atoms: new Map(),
   bonds: new Map(),
+  frags,
   molecule,
   connectedComponents: new Set(),
   render: {

packages/ketcher-core/src/application/render/restruct/rergroup.js

@@ -67,11 +67,6 @@ class ReRGroup extends ReObject {
           : fragBox;
       }
     });
-
-    rGroupBoundingBox = rGroupBoundingBox
-      ? rGroupBoundingBox.extend(BORDER_EXT, BORDER_EXT)
-      : rGroupBoundingBox;
-
     let attachmentPointsVBox = render.ctab.getAttachmentsPointsVBox(
       this.getAtoms(render),
     );

packages/ketcher-core/src/domain/entities/sgroup.ts

@@ -459,6 +459,8 @@ export class SGroup {
     remol?: ReStruct,
     render?,
   ): void {
+    const BORDER_EXT = new Vec2(0.05 * 3, 0.05 * 3);
+    const PADDING_VECTOR = new Vec2(0.2, 0.4);
     const atoms = sGroup.atoms;
     const crossBonds = crossBondsPerAtom
       ? Object.values(crossBondsPerAtom).flat()
@@ -482,7 +484,6 @@ export class SGroup {
     };
     atoms.forEach((aid) => {
       const atom = getAtom(aid);
-      const ext = new Vec2(0.05 * 3, 0.05 * 3);
       let position;
       let structBoundingBox;
       if ('getVBoxObj' in atom && render) {
@@ -491,7 +492,7 @@ export class SGroup {
         position = new Vec2(atom.pp);
         structBoundingBox = new Box2Abs(position, position);
       }
-      contentBoxes.push(structBoundingBox.extend(ext, ext));
+      contentBoxes.push(structBoundingBox.extend(BORDER_EXT, BORDER_EXT));
     });
     contentBoxes.forEach((bba) => {
       let bbb: Box2Abs | null = null;
@@ -504,8 +505,18 @@ export class SGroup {
       });
       braketBox = !braketBox ? bbb : Box2Abs.union(braketBox, bbb!);
     });
-    const vext = new Vec2(0.2, 0.4);
-    if (braketBox) braketBox = (braketBox as Box2Abs).extend(vext, vext);
+    if (!render) render = global._ui_editor.render;
+    let attachmentPointsVBox = render.ctab.getAttachmentsPointsVBox(atoms);
+    attachmentPointsVBox = attachmentPointsVBox
+      ? attachmentPointsVBox.extend(BORDER_EXT, BORDER_EXT)
+      : attachmentPointsVBox;
+
+    braketBox =
+      attachmentPointsVBox && braketBox
+        ? Box2Abs.union(attachmentPointsVBox, braketBox)
+        : braketBox;
+    if (braketBox)
+      braketBox = (braketBox as Box2Abs).extend(PADDING_VECTOR, PADDING_VECTOR);
     sGroup.bracketBox = braketBox;
   }