ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

small tweaks to support type labels with single and double quotes. add tests

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-09-03 19:04:24 -04:00
parent b143f87d10
commit bb45137b1a
4 changed files with 14 additions and 4 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
unittest/commands/test_labelmap.cpp
View File

@ -153,6 +153,16 @@ TEST_F(SetTest, NoBoxAtoms)
ASSERT_FALSE(atom->lmap->is_complete(Atom::ATOM));
ASSERT_EQ(atom->lmap->find("C1", Atom::ATOM), 3);
ASSERT_EQ(atom->lmap->find("N2", Atom::ATOM), 2);
BEGIN_HIDE_OUTPUT();
command("labelmap clear");
command("labelmap atom 1 \"C1'\" 2 'C2\"' 3 \"\"\"C1'-C2\" \"\"\" 4 \"\"\" C2\"-C1'\"\"\"");
END_HIDE_OUTPUT();
ASSERT_TRUE(atom->lmap->is_complete(Atom::ATOM));
ASSERT_EQ(atom->lmap->find("C1'", Atom::ATOM), 1);
ASSERT_EQ(atom->lmap->find("C2\"", Atom::ATOM), 2);
ASSERT_EQ(atom->lmap->find("C1'-C2\"", Atom::ATOM), 3);
ASSERT_EQ(atom->lmap->find("C2\"-C1'", Atom::ATOM), 4);
}
} // namespace LAMMPS_NS