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add tests for lammps_eval() and its python counterpart

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This commit is contained in:
Axel Kohlmeyer
2025-01-12 14:49:07 -05:00
parent dce1231052
commit 85dec585a6
3 changed files with 59 additions and 1 deletions
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31
unittest/c-library/test_library_objects.cpp
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@ -233,3 +233,34 @@ TEST_F(LibraryObjects, expand)
EXPECT_THAT((char *)ptr, StrEq("'xx_$(4+5)_$(PI) ${one}-${two}-${three}'"));
lammps_free(ptr);
}
TEST_F(LibraryObjects, eval)
{
lammps_get_last_error_message(lmp, nullptr, 1);
::testing::internal::CaptureStdout();
lammps_commands_string(lmp, "region box1 block 0 10 0 5 -0.5 0.5\n"
"lattice fcc 0.8\n"
"create_box 1 box1\n"
"create_atoms 1 box\n"
"mass * 1.0\n"
"pair_style lj/cut 4.0\n"
"pair_coeff * * 1.0 1.0\n"
"variable t equal 15.0\n"
"velocity all create 1.5 532656\n"
"fix 1 all nve\n"
"run 0 post no\n");
lammps_command(lmp, "variable one index 1 2 3 4");
lammps_command(lmp, "variable two equal 2");
std::string output = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << output;
ASSERT_EQ(lammps_has_error(lmp), 0);
EXPECT_DOUBLE_EQ(lammps_eval(lmp, "4+5"), 9.0);
EXPECT_EQ(lammps_has_error(lmp), 0);
EXPECT_DOUBLE_EQ(lammps_eval(lmp, "v_one / 2.0"), 0.5);
EXPECT_EQ(lammps_has_error(lmp), 0);
EXPECT_DOUBLE_EQ(lammps_eval(lmp, "count(all)"), 36.0);
EXPECT_EQ(lammps_has_error(lmp), 0);
EXPECT_DOUBLE_EQ(lammps_eval(lmp, "pe"), -3.9848867644689534);
EXPECT_EQ(lammps_has_error(lmp), 0);
}