#1533 System attach two explicit hydrogens to atoms connected to "an…

…y type" bonds Fix UTs
epam · Jan 25, 2024 · b058c73 · b058c73
1 parent 7b5aadf
commit b058c73
Show file tree

Hide file tree

Showing 3 changed files with 9 additions and 9 deletions.
diff --git a/api/tests/integration/ref/arom/arom_d_orbital.py.out b/api/tests/integration/ref/arom/arom_d_orbital.py.out
@@ -1,18 +1,18 @@
 *** 0 ***
 COC(c1[n]2s(c3c(c4c2cccc4)cccc3)(C(C)C)c1C(OC)=O)=O
-element: can not calculate implicit hydrogens on aromatic S, charge 0, degree 4, 0 radical electrons
+element: cannot calculate implicit hydrogens on aromatic S, charge 0, degree 4, 0 radical electrons
 COC(c1[n]2s(c3c(c4c2cccc4)cccc3)(C(C)C)c1C(OC)=O)=O
-element: can not calculate implicit hydrogens on aromatic S, charge 0, degree 4, 0 radical electrons
+element: cannot calculate implicit hydrogens on aromatic S, charge 0, degree 4, 0 radical electrons
 *** 1 ***
 COC(C1N2S(C3C(C4C2=CC=CC=4)=CC=CC=3)(C(C)C)C=1C(OC)=O)=O
 CC(C)S12C(=C(C(=O)OC)N1C1=CC=CC=C1C1=CC=CC=C21)C(=O)OC
 COC(C1N2S(C3C(C4C2=CC=CC=4)=CC=CC=3)(C(C)C)C=1C(OC)=O)=O
 CC(C)S12C(=C(C(=O)OC)N1C1=CC=CC=C1C1=CC=CC=C21)C(=O)OC
 *** 2 ***
 COC(C1[n]2s(c3c(c4c2cccc4)cccc3)(C(C)C)C=1C(OC)=O)=O
-element: can not calculate implicit hydrogens on aromatic S, charge 0, degree 4, 0 radical electrons
+element: cannot calculate implicit hydrogens on aromatic S, charge 0, degree 4, 0 radical electrons
 COC(C1[n]2s(c3c(c4c2cccc4)cccc3)(C(C)C)C=1C(OC)=O)=O
-element: can not calculate implicit hydrogens on aromatic S, charge 0, degree 4, 0 radical electrons
+element: cannot calculate implicit hydrogens on aromatic S, charge 0, degree 4, 0 radical electrons
 *** 3 ***
 COC(c1[n]2s(C3C(C4C2=CC=CC=4)=CC=CC=3)(C(C)C)c1C(OC)=O)=O
 CC(C)[s]12c(c(C(=O)OC)[n]1C1=CC=CC=C1C1=CC=CC=C21)C(=O)OC

diff --git a/api/tests/integration/ref/basic/validate.py.out b/api/tests/integration/ref/basic/validate.py.out
@@ -1,5 +1,5 @@
 ** 0 **
-Exception: element: can not calculate implicit hydrogens on aromatic N, charge 0, degree 2, 0 radical electrons
+Exception: element: cannot calculate implicit hydrogens on aromatic N, charge 0, degree 2, 0 radical electrons
 
 False
 Cc1cccc[n]1
@@ -29,11 +29,11 @@ False
 CC1NC=C(O)N=1
 False
 ** 5 **
-Exception: element: can not calculate implicit hydrogens on aromatic N, charge 0, degree 2, 0 radical electrons
+Exception: element: cannot calculate implicit hydrogens on aromatic N, charge 0, degree 2, 0 radical electrons
 dearomatization: non-unique dearomatization: Dearomatization is not unique. Cannot restore hydrogens.
-Exception: element: can not calculate implicit hydrogens on aromatic N, charge 0, degree 2, 0 radical electrons
+Exception: element: cannot calculate implicit hydrogens on aromatic N, charge 0, degree 2, 0 radical electrons
 Exception: dearomatization: non-unique dearomatization: Dearomatization is not unique. Cannot restore hydrogens.
-Exception: element: can not calculate implicit hydrogens on aromatic N, charge 0, degree 2, 0 radical electrons
+Exception: element: cannot calculate implicit hydrogens on aromatic N, charge 0, degree 2, 0 radical electrons
 ** 6 **
 True
 element: bad valence on H having 1 drawn bonds, charge 1, and 0 radical electrons

diff --git a/bingo/tests/data/reactions/checkreaction/std.json b/bingo/tests/data/reactions/checkreaction/std.json
@@ -1027,7 +1027,7 @@
     {
         "query_id": 206,
         "query_type": "checkreaction",
-        "expected": "element: can not calculate implicit hydrogens on aromatic C, charge 0, degree 1, 0 radical electrons"
+        "expected": "element: cannot calculate implicit hydrogens on aromatic C, charge 0, degree 1, 0 radical electrons"
     },
     {
         "query_id": 207,