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add UTF-8 substitution and detection

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This commit is contained in:
Axel Kohlmeyer
2022-09-04 06:45:11 -04:00
parent 34104bbbe9
commit 26e1b7c44d
7 changed files with 57 additions and 26 deletions
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10
unittest/commands/test_labelmap.cpp
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@ -64,18 +64,28 @@ TEST_F(SetTest, NoBoxAtoms)
command("create_box 4 box");
command("labelmap atom 2 N1");
command("labelmap atom 3 O1 4 H1");
command("mass * 1.0");
command("mass O1 3.0");
command("mass N1 2.0");
command("mass H1 4.0");
END_HIDE_OUTPUT();
ASSERT_NE(atom->lmap, nullptr);
ASSERT_FALSE(atom->lmap->is_complete(Atom::ATOM));
ASSERT_DOUBLE_EQ(atom->mass[1], 1.0);
ASSERT_DOUBLE_EQ(atom->mass[2], 2.0);
ASSERT_DOUBLE_EQ(atom->mass[3], 3.0);
ASSERT_DOUBLE_EQ(atom->mass[4], 4.0);
BEGIN_HIDE_OUTPUT();
command("labelmap atom 1 C1 2 N2 3 ' O#' 1 C1 4 H# 2 N3"); // second '#' starts comment
command("mass \"O#\" 10.0");
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("N2", Atom::ATOM), 2);
ASSERT_EQ(atom->lmap->find("O#", Atom::ATOM), 3);
ASSERT_EQ(atom->lmap->find("H", Atom::ATOM), 4);
ASSERT_DOUBLE_EQ(atom->mass[3], 10.0);
TEST_FAILURE(".*ERROR: Labelmap atom type 0 must be within 1-4.*",
command("labelmap atom 0 C1"););