From 6e390a1c1c8a0391916eeae184862dc7431d4a48 Mon Sep 17 00:00:00 2001 From: Nuri Jung Date: Fri, 17 Nov 2023 16:17:32 +0900 Subject: [PATCH] test(fmt/mol2): add test for self-bond --- test/fmt/mol2_test.cpp | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/test/fmt/mol2_test.cpp b/test/fmt/mol2_test.cpp index 517c271e..0446ae31 100644 --- a/test/fmt/mol2_test.cpp +++ b/test/fmt/mol2_test.cpp @@ -64,6 +64,17 @@ NO_CHARGES @BOND 1 1 2 error @MOLECULE +***** + 1 1 0 0 0 +SMALL +NO_CHARGES + + +@ATOM + 1 N 0 0.0000 0.0000 N.3 +@BOND + 1 1 1 1 +@MOLECULE ***** 1 0 0 0 0 SMALL