#1446 Dearomatization does not work with query features

Add UTs
epam · Dec 26, 2023 · 88c7c7e · 88c7c7e
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diff --git a/api/tests/integration/ref/arom/query_dearom.py.out b/api/tests/integration/ref/arom/query_dearom.py.out
@@ -8,3 +8,15 @@ Dearomatized: [#6]1-[#6]=[#6]-[#6]=[#6]-[#6;h0]=1
 Aromatic: c1cccc[c;X4]1
 Dearomatized: [#6]1-[#6]=[#6]-[#6]=[#6]-[#6;X4]=1
 
+Aromatic: [#6]12:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]:[#7]:[#7;h1]:2
+Dearomatized: [#6]12-[#6]=[#6]-[#6]=[#6]-[#6]-1=[#6]-[#7]-[#7;h1]=2
+
+Aromatic: [#6]12:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]:[#7]:[#7;h0]:2
+Dearomatized: [#6]12-[#6]=[#6]-[#6]=[#6]-[#6]-1=[#6]-[#7]-[#7;h0]=2
+
+Aromatic: [#6]12:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]:[#7;h0]:[#7]:2
+Dearomatized: [#6]12-[#6]=[#6]-[#6]=[#6]-[#6]=1-[#6]=[#7;h0]-[#7]-2
+
+Aromatic: [#6]12:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]:[#7;h0]:[#7;h0]:2
+Cannot be dearomatized: [#6]12:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]:[#7;h0]:[#7;h0]:2
+
diff --git a/api/tests/integration/tests/arom/query_dearom.py b/api/tests/integration/tests/arom/query_dearom.py
@@ -26,3 +26,25 @@
 print("Aromatic: %s" % m.smarts())
 m.dearomatize()
 print("Dearomatized: %s\n" % m.smarts())
+
+m = indigo.loadSmarts("[#6]12:[#7;h1]:[#7]:[#6]:[#6]:1:[#6]:[#6]:[#6]:[#6]:2")
+print("Aromatic: %s" % m.smarts())
+m.dearomatize()
+print("Dearomatized: %s\n" % m.smarts())
+
+m = indigo.loadSmarts("[#6]12:[#7;h0]:[#7]:[#6]:[#6]:1:[#6]:[#6]:[#6]:[#6]:2")
+print("Aromatic: %s" % m.smarts())
+m.dearomatize()
+print("Dearomatized: %s\n" % m.smarts())
+
+m = indigo.loadSmarts("[#6]12:[#7]:[#7;h0]:[#6]:[#6]:1:[#6]:[#6]:[#6]:[#6]:2")
+print("Aromatic: %s" % m.smarts())
+m.dearomatize()
+print("Dearomatized: %s\n" % m.smarts())
+
+m = indigo.loadSmarts(
+    "[#6]12:[#7;h0]:[#7;h0]:[#6]:[#6]:1:[#6]:[#6]:[#6]:[#6]:2"
+)
+print("Aromatic: %s" % m.smarts())
+m.dearomatize()
+print("Cannot be dearomatized: %s\n" % m.smarts())