#3893 - Remove explicit hydrogens feature changes layout of simple mo…

…lecules (#4133) - removed rescale if there is no bonds - fixed screenshots --------- Co-authored-by: Roman Rodionov <roman_rodionov@epam.com>
epam · Feb 23, 2024 · e571d2d · e571d2d
1 parent 5395b1d
commit e571d2d
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Showing 6 changed files with 8 additions and 11 deletions.
diff --git a/...res-fr-e0c59-mport-structure-as-a-KET-file---open-KET-file-1-chromium-linux.png b/...res-fr-e0c59-mport-structure-as-a-KET-file---open-KET-file-1-chromium-linux.png
diff --git a/...ection-tools-Pressing-atoms-hotkey-when-atoms-are-selected-1-chromium-linux.png b/...ection-tools-Pressing-atoms-hotkey-when-atoms-are-selected-1-chromium-linux.png
diff --git a/...ng-SMA-42cb4-two-query-groups-should-not-trigger-any-error-1-chromium-linux.png b/...ng-SMA-42cb4-two-query-groups-should-not-trigger-any-error-1-chromium-linux.png
diff --git a/...ng-SMA-8c2a2--one-query-group-should-not-trigger-any-error-1-chromium-linux.png b/...ng-SMA-8c2a2--one-query-group-should-not-trigger-any-error-1-chromium-linux.png
diff --git a/ketcher-autotests/tests/test-data/KET/hydrogen-plus-oxygen-arrow-hydrogen-expected.ket b/ketcher-autotests/tests/test-data/KET/hydrogen-plus-oxygen-arrow-hydrogen-expected.ket
@@ -16,12 +16,12 @@
                     "mode": "open-angle",
                     "pos": [
                         {
-                            "x": 14.818421052631582,
+                            "x": 15.075000000000003,
                             "y": -8,
                             "z": 0
                         },
                         {
-                            "x": 15.450000000000003,
+                            "x": 17.075000000000003,
                             "y": -8,
                             "z": 0
                         }
@@ -31,7 +31,7 @@
             {
                 "type": "plus",
                 "location": [
-                    14.028947368421054,
+                    12.575000000000003,
                     -8,
                     0
                 ],
@@ -47,7 +47,7 @@
             {
                 "label": "H",
                 "location": [
-                    13.63421052631579,
+                    11.325000000000003,
                     -8,
                     0
                 ]
@@ -60,7 +60,7 @@
             {
                 "label": "O",
                 "location": [
-                    14.50263157894737,
+                    14.075000000000003,
                     -8,
                     0
                 ]
@@ -73,7 +73,7 @@
             {
                 "label": "H",
                 "location": [
-                    15.765789473684212,
+                    18.075000000000003,
                     -8,
                     0
                 ]

diff --git a/packages/ketcher-core/src/domain/entities/struct.ts b/packages/ketcher-core/src/domain/entities/struct.ts
@@ -820,11 +820,8 @@ export class Struct {
 
   rescale() {
     let avg = this.getAvgBondLength();
-    if (avg < 0 && !this.isReaction) {
-      // TODO [MK] this doesn't work well for reactions as the distances between
-      // the atoms in different components are generally larger than those between atoms of a single component
-      // (KETCHER-341)
-      avg = this.getAvgClosestAtomDistance();
+    if (avg <= 0) {
+      return;
     }
     if (avg < 1e-3) avg = 1;