#554 Stereocenter should disappear after replacing the stereobond wit…

…h the dative bond or the double cis/trans bond (#575) * update priority of operations * fix flipping of dative bonds * recalculate stereo flag is cis/trans bond is used * set AtomAttr priority equals 1
epam · Jun 7, 2021 · cbb822c · cbb822c
1 parent dcccda8
commit cbb822c
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Showing 4 changed files with 25 additions and 19 deletions.
diff --git a/packages/ketcher-react/src/script/editor/actions/bond.ts b/packages/ketcher-react/src/script/editor/actions/bond.ts
@@ -15,26 +15,25 @@
  ***************************************************************************/
 
 import { Atom, Bond, StereoLabel, Struct, Vec2 } from 'ketcher-core'
-
 import {
-  FragmentAdd,
   AtomAdd,
   AtomAttr,
   BondAdd,
   BondAttr,
-  BondDelete
+  BondDelete,
+  FragmentAdd
 } from '../operations'
-import utils from '../shared/utils'
-import Action from '../shared/action'
-
-import { atomGetAttr, atomForNewBond, atomGetNeighbors } from './utils'
+import { atomForNewBond, atomGetAttr, atomGetNeighbors } from './utils'
 import {
   fromAtomMerge,
   fromStereoAtomAttrs,
   mergeFragmentsIfNeeded,
   mergeSgroups
 } from './atom'
+
+import Action from '../shared/action'
 import ReStruct from '../../render/restruct'
+import utils from '../shared/utils'
 
 export function fromBondAddition(
   restruct: ReStruct,
@@ -172,7 +171,11 @@ export function fromBondStereoUpdate(
   let bond = struct.bonds.get(bid)
   const action = new Action()
 
-  if (bond?.stereo === Bond.PATTERN.STEREO.NONE) {
+  if (
+    bond &&
+    (bond.stereo === Bond.PATTERN.STEREO.NONE ||
+      bond.type === Bond.PATTERN.TYPE.DOUBLE)
+  ) {
     const neigs = atomGetNeighbors(restruct, bond.begin)
     const stereoNeig = neigs.find(item => {
       const bond = struct.bonds.get(item.bid)
@@ -232,8 +235,9 @@ export function bondChangingAction(
   bondProps: any
 ): Action {
   if (
-    bondProps.stereo !== Bond.PATTERN.STEREO.NONE && //
-    bondProps.type === Bond.PATTERN.TYPE.SINGLE &&
+    ((bondProps.stereo !== Bond.PATTERN.STEREO.NONE && //
+      bondProps.type === Bond.PATTERN.TYPE.SINGLE) ||
+      bond.type === Bond.PATTERN.TYPE.DATIVE) &&
     bond.type === bondProps.type &&
     bond.stereo === bondProps.stereo
   )
@@ -262,8 +266,6 @@ function bondFlipRequired(struct: Struct, bond: Bond, attrs: any): boolean {
   if (!bondBegin || !bondBegin.neighbors || !bondEnd || !bondEnd.neighbors)
     return false
 
-  if (attrs.type === Bond.PATTERN.TYPE.DATIVE) return true
-
   return (
     attrs.type === Bond.PATTERN.TYPE.SINGLE &&
     bond.stereo === Bond.PATTERN.STEREO.NONE &&

diff --git a/packages/ketcher-react/src/script/editor/operations/atom/AtomAttr.ts b/packages/ketcher-react/src/script/editor/operations/atom/AtomAttr.ts
@@ -1,3 +1,5 @@
+import { BaseOperation } from '../base'
+import { OperationType } from '../OperationType'
 /****************************************************************************
  * Copyright 2021 EPAM Systems
  *
@@ -14,8 +16,6 @@
  * limitations under the License.
  ***************************************************************************/
 import Restruct from '../../../render/restruct'
-import { BaseOperation } from '../base'
-import { OperationType } from '../OperationType'
 
 type Data = {
   aid?: any
@@ -28,7 +28,7 @@ export class AtomAttr extends BaseOperation {
   data2: Data | null
 
   constructor(atomId?: any, attribute?: any, value?: any) {
-    super(OperationType.ATOM_ATTR, 2)
+    super(OperationType.ATOM_ATTR, 1)
     this.data = { aid: atomId, attribute, value }
     this.data2 = null
   }

diff --git a/packages/ketcher-react/src/script/editor/operations/atom/index.ts b/packages/ketcher-react/src/script/editor/operations/atom/index.ts
@@ -31,7 +31,7 @@ class AtomAdd extends BaseOperation {
   data: Data
 
   constructor(atom?: any, pos?: any) {
-    super(OperationType.ATOM_ADD, 1)
+    super(OperationType.ATOM_ADD)
     this.data = { atom, pos, aid: null }
   }
 

diff --git a/packages/ketcher-react/src/script/editor/operations/base.ts b/packages/ketcher-react/src/script/editor/operations/base.ts
@@ -14,10 +14,9 @@
  * limitations under the License.
  ***************************************************************************/
 
+import { OperationType } from './OperationType'
 // todo: rename file in another PR
 import Restruct from '../../render/restruct'
-import { OperationType } from './OperationType'
-
 import { StereLabelStyleType } from '../../render/restruct/GeneralEnumTypes'
 
 type ValueOf<TObject extends object> = Readonly<TObject[keyof TObject]>
@@ -126,7 +125,12 @@ class BaseOperation {
     BaseOperation.invalidateAtom(restruct, bond.b.end, 0)
   }
 
-  protected static invalidateItem(restruct: Restruct, map, id: number, level?) {
+  protected static invalidateItem(
+    restruct: Restruct,
+    map,
+    id: number,
+    level?: any
+  ) {
     if (map === 'atoms') {
       BaseOperation.invalidateAtom(restruct, id, level)
       return