#1307 Error in DevTool console about memory access out of bound when …

…call 'ketcher.getRxn()' (#1409) Co-authored-by: Mr.Robot <[email protected]>
epam · Dec 7, 2023 · e88bfca · e88bfca
1 parent 745389d
commit e88bfca
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Showing 5 changed files with 521 additions and 2 deletions.
diff --git a/api/tests/integration/ref/formats/ket_to_mol.py.out b/api/tests/integration/ref/formats/ket_to_mol.py.out
@@ -16,6 +16,7 @@ pepchem.ket:SUCCEED
 peptides.ket:SUCCEED
 query_explicit_val.ket:SUCCEED
 rna_mod.ket:SUCCEED
+sgroups_mul.ket:SUCCEED
 suplabel.ket:SUCCEED
 thymine.ket:SUCCEED
 empty_apid.ket:SUCCEED

diff --git a/api/tests/integration/tests/formats/ket_to_mol.py b/api/tests/integration/tests/formats/ket_to_mol.py
@@ -41,6 +41,7 @@ def find_diff(a, b):
     "anacyclamide",
     "accl_no_class",
     "conj_no_class",
+    "sgroups_mul",
     "query_explicit_val",
     "mon_long_id",
     "acgt_1412",

diff --git a/api/tests/integration/tests/formats/molecules/sgroups_mul.ket b/api/tests/integration/tests/formats/molecules/sgroups_mul.ket
@@ -0,0 +1,71 @@
+{
+    "root": {
+        "nodes": [
+            {
+                "$ref": "mol0"
+            }
+        ]
+    },
+    "mol0": {
+        "type": "molecule",
+        "atoms": [
+            {
+                "label": "C",
+                "location": [11.359849152128568, -7.7000744171746085, 0]
+            },
+            {
+                "label": "C",
+                "location": [13.090150847871435, -7.699589229177204, 0]
+            },
+            {
+                "label": "C",
+                "location": [12.22663750949124, -7.199966888850188, 0]
+            },
+            {
+                "label": "C",
+                "location": [13.090150847871435, -8.700532067822149, 0]
+            },
+            {
+                "label": "C",
+                "location": [11.359849152128568, -8.705020056798139, 0]
+            },
+            {
+                "label": "C",
+                "location": [12.22882085547956, -9.200033111149814, 0]
+            }
+        ],
+        "bonds": [
+            {
+                "type": 2,
+                "atoms": [2, 0]
+            },
+            {
+                "type": 2,
+                "atoms": [3, 1]
+            },
+            {
+                "type": 1,
+                "atoms": [0, 4]
+            },
+            {
+                "type": 1,
+                "atoms": [1, 2]
+            },
+            {
+                "type": 2,
+                "atoms": [4, 5]
+            },
+            {
+                "type": 1,
+                "atoms": [5, 3]
+            }
+        ],
+        "sgroups": [
+            {
+                "type": "MUL",
+                "atoms": [2],
+                "mul": 200
+            }
+        ]
+    }
+}