add molecule file tests with type labels

2022-09-04 21:09:43 -04:00
parent c376d72158
commit 53d82056ce
2 changed files with 102 additions and 3 deletions
--- a/unittest/commands/test_labelmap.cpp
+++ b/unittest/commands/test_labelmap.cpp
@ -237,6 +237,7 @@ TEST_F(LabelMapTest, Topology)
    EXPECT_EQ(atom->lmap->find("C1-N2-C1-N2", Atom::IMPROPER), 1);
    EXPECT_EQ(atom->lmap->find("X", Atom::ATOM), -1);
    EXPECT_EQ(atom->lmap->find("N2'-C1\"-N2'", Atom::BOND), -1);
+    platform::unlink("labelmap_topology.inc");
 }
 } // namespace LAMMPS_NS