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apply utils::is_type() to labelmap command

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This commit is contained in:
Axel Kohlmeyer
2022-09-03 23:26:56 -04:00
parent ca6222c12b
commit 389c87ab7e
2 changed files with 8 additions and 7 deletions
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10
unittest/commands/test_labelmap.cpp
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@ -105,7 +105,7 @@ TEST_F(SetTest, NoBoxAtoms)
ASSERT_FALSE(atom->lmap->is_complete(Atom::ATOM));
BEGIN_HIDE_OUTPUT();
command("labelmap atom 1 C1 2 N2 3 'O#' 1 C1 4 H# 2 N3"); // second '#' starts comment
command("labelmap atom 1 C1 2 N2 3 ' O#' 1 C1 4 H# 2 N3"); // second '#' starts comment
END_HIDE_OUTPUT();
ASSERT_TRUE(atom->lmap->is_complete(Atom::ATOM));
ASSERT_EQ(atom->lmap->find("C1", Atom::ATOM), 1);
@ -117,11 +117,13 @@ TEST_F(SetTest, NoBoxAtoms)
command("labelmap atom 0 C1"););
TEST_FAILURE(".*ERROR: Labelmap atom type 5 must be within 1-4.*",
command("labelmap atom 5 C1"););
TEST_FAILURE(".*ERROR: Label 1C for atom type 1 must not start with a number.*",
TEST_FAILURE(".*ERROR: Type label string 1C for atom type 1 is invalid.*",
command("labelmap atom 1 1C"););
TEST_FAILURE(".*ERROR: Label #C for atom type 1 must not start with a number, a '#', or.*",
TEST_FAILURE(".*ERROR: Type label string #C for atom type 1 is invalid.*",
command("labelmap atom 1 '#C'"););
TEST_FAILURE(".*ERROR: Label \\*C for atom type 1 must not start with a number, a '#', or.*",
TEST_FAILURE(".*ERROR: Type label string CA CB for atom type 1 is invalid.*",
command("labelmap atom 1 ' CA CB '"););
TEST_FAILURE(".*ERROR: Type label string \\*C for atom type 1 is invalid.*",
command("labelmap atom 1 *C"););
TEST_FAILURE(".*ERROR: The atom type label N2 is already in use for type 2.*",
command("labelmap atom 1 N2"););