test(fmt/mol2): add test for self-bond

seoklab · Nov 17, 2023 · 6e390a1 · 6e390a1
1 parent a7b3e4b
commit 6e390a1
Showing 1 changed file with 11 additions and 0 deletions.
diff --git a/test/fmt/mol2_test.cpp b/test/fmt/mol2_test.cpp
@@ -64,6 +64,17 @@ NO_CHARGES
 @<TRIPOS>BOND
      1     1     2    error
 @<TRIPOS>MOLECULE
+*****
+ 1 1 0 0 0
+SMALL
+NO_CHARGES
+
+
+@<TRIPOS>ATOM
+      1 N           0    0.0000    0.0000 N.3
+@<TRIPOS>BOND
+     1     1     1    1
+@<TRIPOS>MOLECULE
 *****
  1 0 0 0 0
 SMALL