#3660 - Macro: After removing the abbreviation in micro mode and swit…

…ching to macro mode, the monomer disappears (#3735) * #3660 - Macro: After removing the abbreviation in micro mode and switching to macro mode, the monomer disappears - restricted several operations with macro entities in micro mode (expand/remove abbreviation, replace, etc) --------- Co-authored-by: Roman Rodionov <[email protected]>
epam · Dec 21, 2023 · 9e5ad98 · 9e5ad98
1 parent dd5ddf3
commit 9e5ad98
Show file tree

Hide file tree

Showing 15 changed files with 109 additions and 75 deletions.
diff --git a/...er-autotests/tests/Macromolecule-editor/Macro-Micro-Switcher/macro-micro-switcher.spec.ts b/...er-autotests/tests/Macromolecule-editor/Macro-Micro-Switcher/macro-micro-switcher.spec.ts
@@ -18,12 +18,6 @@ import {
   waitForPageInit,
   waitForRender,
 } from '@utils';
-import { rotateToCoordinates } from '@tests/Structure-Creating-&-Editing/Actions-With-Structures/Rotation/utils';
-
-export const COORDINATES_TO_PERFORM_ROTATION = {
-  x: 20,
-  y: 100,
-};
 
 async function zoomWithMouseWheel(
   page: Page,
@@ -174,25 +168,7 @@ test.describe('Macro-Micro-Switcher', () => {
     await takeEditorScreenshot(page);
   });
 
-  test('Create a sequence of monomers in macro mode then switch to micro mode select the entire structure and rotate it', async ({
-    page,
-  }) => {
-    /* 
-    Test case: Macro-Micro-Switcher
-    Description: Sequence of monomers rotate in Micro mode
-    Now test working not properly because we have bug https://github.com/epam/ketcher/issues/3655
-    */
-    await openFileAndAddToCanvas(
-      'KET/three-monomers-connected-with-bonds.ket',
-      page,
-    );
-    await turnOnMicromoleculesEditor(page);
-    await page.keyboard.press('Control+a');
-    await rotateToCoordinates(page, COORDINATES_TO_PERFORM_ROTATION);
-    await takeEditorScreenshot(page);
-  });
-
-  test('Add monomers in macro mode then switch to micro mode and expand them', async ({
+  test('Add monomers in macro mode then switch to micro mode and check that it can not be expanded and abreviation can not be removed', async ({
     page,
   }) => {
     /* 
@@ -206,30 +182,10 @@ test.describe('Macro-Micro-Switcher', () => {
     );
     await turnOnMicromoleculesEditor(page);
     await page.getByText('A6OH').click({ button: 'right' });
-    await page.getByText('Expand Abbreviation').click();
-    await takeEditorScreenshot(page);
-  });
-
-  test('Add monomers in macro mode then switch to micro mode remove abbreviation and switch to macro mode', async ({
-    page,
-  }) => {
-    /* 
-    Test case: Macro-Micro-Switcher
-    Description: After switch to Macro mode monomer exist on canvas.
-    Now test working not properly because we have bug https://github.com/epam/ketcher/issues/3660
-    */
-    await openFileAndAddToCanvas(
-      'KET/three-monomers-connected-with-bonds.ket',
-      page,
-    );
-    await turnOnMicromoleculesEditor(page);
-    await page.getByText('A6OH').click({ button: 'right' });
-    await page.getByText('Remove Abbreviation').click();
-    await turnOnMacromoleculesEditor(page);
     await takeEditorScreenshot(page);
   });
 
-  test('Add monomers in macro mode then switch to micro mode and move them to a new position several times', async ({
+  test('Add monomers in macro mode then switch to micro mode and check that it can not be moved', async ({
     page,
   }) => {
     /* 

diff --git a/...ro-mod-3601b-micro-mode-and-check-that-it-can-not-be-moved-1-chromium-linux.png b/...ro-mod-3601b-micro-mode-and-check-that-it-can-not-be-moved-1-chromium-linux.png
diff --git a/...ro-mod-7ee64-e-expanded-and-abreviation-can-not-be-removed-1-chromium-linux.png b/...ro-mod-7ee64-e-expanded-and-abreviation-can-not-be-removed-1-chromium-linux.png
diff --git a/...ro-mod-89fde-and-move-them-to-a-new-position-several-times-1-chromium-linux.png b/...ro-mod-89fde-and-move-them-to-a-new-position-several-times-1-chromium-linux.png
diff --git a/...rs-in-macro-mode-then-switch-to-micro-mode-and-expand-them-1-chromium-linux.png b/...rs-in-macro-mode-then-switch-to-micro-mode-and-expand-them-1-chromium-linux.png
diff --git a/...f-mono-ecee6-ntire-structure-and-move-it-to-a-new-position-1-chromium-linux.png b/...f-mono-ecee6-ntire-structure-and-move-it-to-a-new-position-1-chromium-linux.png
diff --git a/packages/ketcher-core/src/domain/entities/struct.ts b/packages/ketcher-core/src/domain/entities/struct.ts
@@ -1216,4 +1216,31 @@ export class Struct {
     const sgroup = this.getGroupFromAtomId(atomId);
     return sgroup instanceof MonomerMicromolecule;
   }
+
+  isBondFromMacromolecule(bondId: number) {
+    const bond = this.bonds.get(bondId);
+
+    assert(bond);
+
+    return (
+      this.isAtomFromMacromolecule(bond.begin) ||
+      this.isAtomFromMacromolecule(bond.end)
+    );
+  }
+
+  isFunctionalGroupFromMacromolecule(functionalGroupId: number) {
+    const functionalGroup = this.functionalGroups.get(functionalGroupId);
+
+    return functionalGroup?.relatedSGroup instanceof MonomerMicromolecule;
+  }
+
+  isTargetFromMacromolecule(target?: { id: number; map: string }) {
+    return (
+      target &&
+      ((target.map === 'functionalGroups' &&
+        this.isFunctionalGroupFromMacromolecule(target.id)) ||
+        (target.map === 'atoms' && this.isAtomFromMacromolecule(target.id)) ||
+        (target.map === 'bonds' && this.isBondFromMacromolecule(target.id)))
+    );
+  }
 }
diff --git a/packages/ketcher-react/src/script/editor/Editor.ts b/packages/ketcher-react/src/script/editor/Editor.ts
@@ -408,14 +408,20 @@ class Editor implements KetcherEditor {
       return this._selection; // eslint-disable-line
     }
 
+    const struct = this.struct();
     let ReStruct = this.render.ctab;
     let selectAll = false;
     this._selection = null; // eslint-disable-line
     if (ci === 'all') {
       selectAll = true;
       // TODO: better way will be this.struct()
       ci = structObjects.reduce((res, key) => {
-        res[key] = Array.from(ReStruct[key].keys());
+        let restructItemsIds: number[] = Array.from(ReStruct[key].keys());
+        restructItemsIds = restructItemsIds.filter(
+          (restructItemId) =>
+            !struct.isTargetFromMacromolecule({ map: key, id: restructItemId }),
+        );
+        res[key] = restructItemsIds;
         return res;
       }, {});
     }

diff --git a/packages/ketcher-react/src/script/editor/tool/atom.ts b/packages/ketcher-react/src/script/editor/tool/atom.ts
@@ -98,6 +98,11 @@ class AtomTool implements Tool {
 
     const eventMaps = ['atoms', 'functionalGroups'];
     const ci = editor.findItem(event, eventMaps);
+    const struct = editor.struct();
+
+    if (struct.isTargetFromMacromolecule(ci)) {
+      return;
+    }
 
     if (ci?.map === 'atoms') {
       const atomId = ci.id;
@@ -143,6 +148,11 @@ class AtomTool implements Tool {
 
     const eventMaps = ['atoms', 'functionalGroups'];
     const ci = editor.findItem(event, eventMaps);
+    const struct = editor.struct();
+
+    if (struct.isTargetFromMacromolecule(ci)) {
+      return;
+    }
 
     if (
       !dragCtx?.item ||
@@ -222,8 +232,13 @@ class AtomTool implements Tool {
     } = this;
 
     const ci = editor.findItem(event, ['atoms', 'bonds', 'functionalGroups']);
+    const struct = editor.struct();
     const action = new Action();
 
+    if (struct.isTargetFromMacromolecule(ci) || !dragCtx) {
+      return;
+    }
+
     if ((!dragCtx.item || dragCtx?.isSaltOrSolvent) && !ci) {
       action.mergeWith(
         fromAtomAddition(reStruct, rnd.page2obj(event), atomProps),

diff --git a/packages/ketcher-react/src/script/editor/tool/helper/isMacroMolecule.ts b/packages/ketcher-react/src/script/editor/tool/helper/isMacroMolecule.ts
@@ -1,10 +1,8 @@
-import { MonomerMicromolecule } from 'ketcher-core';
 import { Editor } from '../../Editor';
 
 const isMacroMolecule = (editor: Editor, id: number): boolean => {
-  const functionalGroups = editor.render.ctab.molecule.functionalGroups;
-  const matchingGroup = functionalGroups?.get(id);
-  return matchingGroup?.relatedSGroup instanceof MonomerMicromolecule;
+  const struct = editor.struct();
+  return struct.isFunctionalGroupFromMacromolecule(id);
 };
 
 // dragCtx is actually "any" in the code
@@ -18,22 +16,11 @@ const isMergingToMacroMolecule = (editor: Editor, dragCtx: any): boolean => {
   return isMacroMolecule(editor, targetObjectId);
 };
 
-const isBondingWithMacroMolecule = (
-  editor: Editor,
-  event: MouseEvent,
-): boolean => {
+const isBondingWithMacroMolecule = (editor: Editor, event: MouseEvent) => {
   const ci = editor.findItem(event, ['bonds', 'functionalGroups']);
-  if (ci?.map === 'functionalGroups') {
-    return isMacroMolecule(editor, ci?.id);
-  } else if (ci?.map === 'bonds') {
-    const struct = editor.struct();
-    const bond = struct.bonds.get(ci.id);
-    const sGroup = struct.getGroupFromAtomId(bond?.begin);
+  const struct = editor.struct();
 
-    return sGroup instanceof MonomerMicromolecule;
-  }
-
-  return false;
+  return struct.isTargetFromMacromolecule(ci);
 };
 
 export {

diff --git a/packages/ketcher-react/src/script/editor/tool/helper/locate.ts b/packages/ketcher-react/src/script/editor/tool/helper/locate.ts
@@ -14,20 +14,30 @@
  * limitations under the License.
  ***************************************************************************/
 
-import { FunctionalGroup, Vec2 } from 'ketcher-core';
+import {
+  FunctionalGroup,
+  MonomerMicromolecule,
+  Struct,
+  Vec2,
+} from 'ketcher-core';
 
 function getElementsInRectangle(restruct, p0, p1) {
   const bondList: Array<number> = [];
   const atomList: Array<number> = [];
   const sGroups = restruct.sgroups;
   const functionalGroups = restruct.molecule.functionalGroups;
+  const struct: Struct = restruct.molecule;
 
   const x0 = Math.min(p0.x, p1.x);
   const x1 = Math.max(p0.x, p1.x);
   const y0 = Math.min(p0.y, p1.y);
   const y1 = Math.max(p0.y, p1.y);
 
   restruct.bonds.forEach((bond, bid) => {
+    if (struct.isBondFromMacromolecule(bid)) {
+      return;
+    }
+
     const centre = Vec2.lc2(
       restruct.atoms.get(bond.b.begin).a.pp,
       0.5,
@@ -54,8 +64,9 @@ function getElementsInRectangle(restruct, p0, p1) {
       functionalGroups,
       aid,
     );
-    const sGroup = restruct.sgroups.get(relatedFGId);
+    const reSGroup = restruct.sgroups.get(relatedFGId);
     if (
+      !(reSGroup?.item instanceof MonomerMicromolecule) &&
       atom.a.pp.x > x0 &&
       atom.a.pp.x < x1 &&
       atom.a.pp.y > y0 &&
@@ -66,7 +77,7 @@ function getElementsInRectangle(restruct, p0, p1) {
         functionalGroups,
         true,
       ) ||
-        aid === sGroup.item.atoms[0])
+        aid === reSGroup.item.atoms[0])
     ) {
       atomList.push(aid);
     }
@@ -172,12 +183,20 @@ function getElementsInPolygon(restruct, rr) {
   const r: any = [];
   const sGroups = restruct.sgroups;
   const functionalGroups = restruct.molecule.functionalGroups;
+  const struct: Struct = restruct.molecule;
 
   for (let i = 0; i < rr.length; ++i) {
     r[i] = new Vec2(rr[i].x, rr[i].y);
   }
 
   restruct.bonds.forEach((bond, bid) => {
+    if (
+      struct.isAtomFromMacromolecule(bond.b.begin) ||
+      struct.isAtomFromMacromolecule(bond.b.end)
+    ) {
+      return;
+    }
+
     const centre = Vec2.lc2(
       restruct.atoms.get(bond.b.begin).a.pp,
       0.5,
@@ -201,16 +220,17 @@ function getElementsInPolygon(restruct, rr) {
       functionalGroups,
       aid,
     );
-    const sGroup = restruct.sgroups.get(relatedFGId);
+    const reSGroup = restruct.sgroups.get(relatedFGId);
     if (
+      !(reSGroup?.item instanceof MonomerMicromolecule) &&
       isPointInPolygon(r, atom.a.pp) &&
       (!FunctionalGroup.isAtomInContractedFunctionalGroup(
         atom.a,
         sGroups,
         functionalGroups,
         true,
       ) ||
-        aid === sGroup.item.atoms[0])
+        aid === reSGroup.item.atoms[0])
     ) {
       atomList.push(aid);
     }

diff --git a/packages/ketcher-react/src/script/editor/tool/select.ts b/packages/ketcher-react/src/script/editor/tool/select.ts
@@ -36,7 +36,10 @@ import {
 } from 'ketcher-core';
 
 import LassoHelper from './helper/lasso';
-import { isMergingToMacroMolecule } from './helper/isMacroMolecule';
+import {
+  isBondingWithMacroMolecule,
+  isMergingToMacroMolecule,
+} from './helper/isMacroMolecule';
 import { atomLongtapEvent } from './atom';
 import SGroupTool from './sgroup';
 import { xor } from 'lodash/fp';
@@ -92,6 +95,10 @@ class SelectTool implements Tool {
     );
     const ci = this.editor.findItem(event, map, null);
 
+    if (isBondingWithMacroMolecule(this.editor, event)) {
+      return;
+    }
+
     const selected = {
       ...(ci?.map === 'atoms' && { atoms: [ci.id] }),
       ...(ci?.map === 'bonds' && { bonds: [ci.id] }),
@@ -239,6 +246,7 @@ class SelectTool implements Tool {
 
     if (this.#lassoHelper.running()) {
       const sel = this.#lassoHelper.addPoint(event);
+
       editor.selection(
         !event.shiftKey ? sel : selMerge(sel, editor.selection(), false),
       );

diff --git a/packages/ketcher-react/src/script/editor/tool/template.ts b/packages/ketcher-react/src/script/editor/tool/template.ts
@@ -33,6 +33,7 @@ import {
   Bond,
   BondAttr,
   AtomAttr,
+  MonomerMicromolecule,
 } from 'ketcher-core';
 import Editor from '../Editor';
 import { getGroupIdsFromItemArrays } from './helper/getGroupIdsFromItems';
@@ -189,7 +190,13 @@ class TemplateTool implements Tool {
 
   private get isNeedToShowRemoveAbbreviationPopup(): boolean {
     const targetId = this.findKeyOfRelatedGroupId(this.closestItem?.id);
-    const isTargetExpanded = this.functionalGroups.get(targetId!)?.isExpanded;
+    const functionalGroup = this.functionalGroups.get(targetId!);
+
+    if (functionalGroup?.relatedSGroup instanceof MonomerMicromolecule) {
+      return false;
+    }
+
+    const isTargetExpanded = functionalGroup?.isExpanded;
     const isTargetAtomOrBond =
       this.targetGroupsIds.length && !this.isModeFunctionalGroup;
 
@@ -224,6 +231,9 @@ class TemplateTool implements Tool {
   }
 
   async mousedown(event: MouseEvent) {
+    const target = this.editor.findItem(event, this.findItems);
+    const struct = this.editor.struct();
+
     this.event = event;
 
     this.templatePreview?.hidePreview();
@@ -250,6 +260,10 @@ class TemplateTool implements Tool {
       }
     }
 
+    if (struct.isTargetFromMacromolecule(target)) {
+      return;
+    }
+
     if (this.isNeedToShowRemoveAbbreviationPopup) {
       await this.showRemoveAbbreviationPopup();
 
@@ -304,7 +318,6 @@ class TemplateTool implements Tool {
     const dragCtx = this.dragCtx;
     const ci = dragCtx.item;
     let targetPos: Vec2 | null | undefined = null;
-
     /* moving when attached to bond */
     if (ci && ci.map === 'bonds' && !this.isModeFunctionalGroup) {
       const bond = this.struct.bonds.get(ci.id);