diff --git a/unittest/formats/test_molecule_file.cpp b/unittest/formats/test_molecule_file.cpp index 2970d1ef9b..1b67d1eec2 100644 --- a/unittest/formats/test_molecule_file.cpp +++ b/unittest/formats/test_molecule_file.cpp @@ -83,7 +83,8 @@ static void create_labelmap_files(const std::string &h2o_filename, const std::st "Angles\n\n1 HO-OW-HO 2 1 3\n\n" "Shake Flags\n\n1 1\n2 1\n3 1\n\n" "Shake Atoms\n\n1 1 2 3\n2 1 2 3\n3 1 2 3\n\n" - "Shake Bond Types\n\n1 OW-HO OW-HO HO-OW-HO\n2 OW-HO OW-HO HO-OW-HO\n3 OW-HO OW-HO HO-OW-HO\n\n" + "Shake Bond Types\n\n1 OW-HO OW-HO HO-OW-HO\n2 OW-HO OW-HO HO-OW-HO\n3 " + "OW-HO OW-HO HO-OW-HO\n\n" "Special Bond Counts\n\n1 2 0 0\n2 1 1 0\n3 1 1 0\n\n" "Special Bonds\n\n1 2 3\n2 1 3\n3 1 2\n\n"; const char co2_file[] = "# CO2 molecule file. TraPPE model.\n\n" @@ -320,12 +321,19 @@ TEST_F(MoleculeFileTest, labelmap) command("molecule h2onum moltest.h2o.mol"); command("molecule co2num moltest.co2.mol offset 2 1 1 0 0"); output = END_CAPTURE_OUTPUT(); + + auto mark = output.find("WARNING"); + auto first = output.substr(0, mark); + mark = output.find("Read molecule", mark); + auto second = output.substr(mark); ASSERT_THAT( - output, + first, ContainsRegex(".*Read molecule template h2onum:.*\n.*1 molecules.*\n" ".*0 fragments.*\n.*3 atoms with max type 2.*\n.*2 bonds with max type 1.*\n" - ".*1 angles with max type 1.*\n.*0 dihedrals.*\n.*0 impropers.*\n" - ".*Read molecule template co2num:.*\n.*1 molecules.*\n" + ".*1 angles with max type 1.*\n.*0 dihedrals.*\n.*0 impropers.*\n")); + ASSERT_THAT( + second, + ContainsRegex(".*Read molecule template co2num:.*\n.*1 molecules.*\n" ".*0 fragments.*\n.*3 atoms with max type 4.*\n.*2 bonds with max type 2.*\n" ".*1 angles with max type 2.*\n.*0 dihedrals.*")); ASSERT_EQ(lmp->atom->nmolecule, 4);