diff --git a/unittest/formats/test_molecule_file.cpp b/unittest/formats/test_molecule_file.cpp index 0fe66e22c5..6f24c0f758 100644 --- a/unittest/formats/test_molecule_file.cpp +++ b/unittest/formats/test_molecule_file.cpp @@ -174,7 +174,7 @@ TEST_F(MoleculeFileTest, minimal) run_mol_cmd(test_name, "", "Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n"); auto output = END_CAPTURE_OUTPUT(); ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*\n.*1 molecules.*\n" - ".*1 atoms.*\n.*0 bonds.*")); + ".*0 fragments.*\n.*1 atoms.*\n.*0 bonds.*")); } TEST_F(MoleculeFileTest, notype) @@ -186,7 +186,7 @@ TEST_F(MoleculeFileTest, notype) run_mol_cmd(test_name, "", "Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n"); auto output = END_CAPTURE_OUTPUT(); ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*\n.*1 molecules.*\n" - ".*1 atoms.*\n.*0 bonds.*")); + ".*0 fragments.*\n.*1 atoms.*\n.*0 bonds.*")); TEST_FAILURE(".*ERROR: Create_atoms molecule must have atom types.*", command("create_atoms 0 single 0.0 0.0 0.0 mol notype 542465");); } @@ -214,7 +214,7 @@ TEST_F(MoleculeFileTest, twomols) " Molecules\n\n 1 1\n 2 2\n\n Types\n\n 1 1\n 2 2\n\n"); auto output = END_CAPTURE_OUTPUT(); ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*\n.*2 molecules.*\n" - ".*2 atoms with max type 2.*\n.*0 bonds.*")); + ".*0 fragments.*\n.*2 atoms with max type 2.*\n.*0 bonds.*")); } TEST_F(MoleculeFileTest, twofiles) @@ -223,10 +223,10 @@ TEST_F(MoleculeFileTest, twofiles) command("molecule twomols moltest.h2o.mol moltest.co2.mol offset 2 1 1 0 0"); auto output = END_CAPTURE_OUTPUT(); ASSERT_THAT(output, ContainsRegex(".*Read molecule template twomols:.*\n.*1 molecules.*\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 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 twomols:.*\n.*1 molecules.*\n" - ".*3 atoms with max type 4.*\n.*2 bonds with max type 2.*\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.*")); } @@ -257,7 +257,7 @@ TEST_F(MoleculeFileTest, bonds) " 2 2 1 3\n\n"); auto output = END_CAPTURE_OUTPUT(); ASSERT_THAT(output, ContainsRegex(".*Read molecule template.*\n.*1 molecules.*\n" - ".*4 atoms.*type.*2.*\n" + ".*0 fragments.*\n.*4 atoms.*type.*2.*\n" ".*2 bonds.*type.*2.*\n.*0 angles.*")); BEGIN_CAPTURE_OUTPUT();