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more basic tests

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This commit is contained in:
Axel Kohlmeyer
2022-09-03 11:47:16 -04:00
parent e7916a7e18
commit 849b41f67a
1 changed files with 24 additions and 2 deletions
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26
unittest/commands/test_labelmap.cpp
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@ -16,6 +16,7 @@
#include "atom.h" #include "atom.h"
#include "compute.h" #include "compute.h"
#include "domain.h" #include "domain.h"
#include "label_map.h"
#include "math_const.h" #include "math_const.h"
#include "modify.h" #include "modify.h"
@ -86,23 +87,40 @@ protected:
} }
}; };
TEST_F(SetTest, NoBoxNoAtoms) TEST_F(SetTest, NoBoxAtoms)
{ {
ASSERT_EQ(atom->natoms, 0); ASSERT_EQ(atom->natoms, 0);
ASSERT_EQ(domain->box_exist, 0); ASSERT_EQ(domain->box_exist, 0);
ASSERT_EQ(atom->lmap, nullptr);
TEST_FAILURE(".*ERROR: Labelmap command before simulation box is.*", TEST_FAILURE(".*ERROR: Labelmap command before simulation box is.*",
command("labelmap atom 3 C1");); command("labelmap atom 3 C1"););
BEGIN_HIDE_OUTPUT(); BEGIN_HIDE_OUTPUT();
command("region box block 0 2 0 2 0 2"); command("region box block 0 2 0 2 0 2");
command("create_box 4 box"); command("create_box 4 box");
command("labelmap atom 2 N1");
command("labelmap atom 3 O1 4 H1");
END_HIDE_OUTPUT(); END_HIDE_OUTPUT();
ASSERT_NE(atom->lmap, nullptr);
ASSERT_FALSE(atom->lmap->is_complete(Atom::ATOM));
BEGIN_HIDE_OUTPUT();
command("labelmap atom 1 C1 2 N2");
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("O1", Atom::ATOM), 3);
ASSERT_EQ(atom->lmap->find("H1", Atom::ATOM), 4);
TEST_FAILURE(".*ERROR: Labelmap atom type 0 must be within 1-4.*", TEST_FAILURE(".*ERROR: Labelmap atom type 0 must be within 1-4.*",
command("labelmap atom 0 C1");); command("labelmap atom 0 C1"););
TEST_FAILURE(".*ERROR: Labelmap atom type 5 must be within 1-4.*", TEST_FAILURE(".*ERROR: Labelmap atom type 5 must be within 1-4.*",
command("labelmap atom 5 C1");); command("labelmap atom 5 C1"););
TEST_FAILURE(".*ERROR: Label 1C for atom type 1 must not start with a number.*", TEST_FAILURE(".*ERROR: Label 1C for atom type 1 must not start with a number.*",
command("labelmap atom 1 1C");); command("labelmap atom 1 1C"););
TEST_FAILURE(".*ERROR: The atom type label N2 is already in use for type 2.*",
command("labelmap atom 1 N2"););
TEST_FAILURE(".*ERROR: No bond types allowed with current box settings.*", TEST_FAILURE(".*ERROR: No bond types allowed with current box settings.*",
command("labelmap bond 1 C1-C1");); command("labelmap bond 1 C1-C1"););
@ -114,7 +132,11 @@ TEST_F(SetTest, NoBoxNoAtoms)
command("labelmap improper 1 C1-C1-C1-C1");); command("labelmap improper 1 C1-C1-C1-C1"););
TEST_FAILURE(".*ERROR: Incorrect number of arguments for labelmap command.*", TEST_FAILURE(".*ERROR: Incorrect number of arguments for labelmap command.*",
command("labelmap atom 0");); command("labelmap atom 1 C1 2"););
TEST_FAILURE(".*ERROR: Incorrect number of arguments for labelmap command.*",
command("labelmap atom 1 C1 atom 2 C2"););
TEST_FAILURE(".*ERROR: Incorrect number of arguments for labelmap command.*",
command("labelmap atom 1"););
TEST_FAILURE(".*ERROR: Incorrect number of arguments for labelmap command.*", TEST_FAILURE(".*ERROR: Incorrect number of arguments for labelmap command.*",
command("labelmap atom");); command("labelmap atom"););
} }