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unit test

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This commit is contained in:
Evangelos Voyiatzis
2025-04-04 16:53:57 +02:00
committed by GitHub
parent 7b4c33630d
commit ccd6eeb8af
1 changed files with 41 additions and 0 deletions
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41
unittest/force-styles/test_dihedral_style.cpp
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@ -746,3 +746,44 @@ TEST(DihedralStyle, numdiff)
cleanup_lammps(lmp, test_config); cleanup_lammps(lmp, test_config);
if (!verbose) ::testing::internal::GetCapturedStdout(); if (!verbose) ::testing::internal::GetCapturedStdout();
} }
TEST(DihedralStyle, extract)
{
if (test_config.skip_tests.count(test_info_->name())) GTEST_SKIP();
LAMMPS::argv args = {"DihedralStyle", "-log", "none", "-echo", "screen", "-nocite"};
if (!verbose) ::testing::internal::CaptureStdout();
LAMMPS *lmp = nullptr;
try {
lmp = init_lammps(args, test_config, true);
} catch (std::exception &e) {
if (!verbose) ::testing::internal::GetCapturedStdout();
FAIL() << e.what();
}
if (!verbose) ::testing::internal::GetCapturedStdout();
if (!lmp) {
std::cerr << "One or more prerequisite styles are not available "
"in this LAMMPS configuration:\n";
for (auto prerequisite : test_config.prerequisites) {
std::cerr << prerequisite.first << "_style " << prerequisite.second << "\n";
}
GTEST_SKIP();
}
auto *dihedral = lmp->force->dihedral;
void *ptr = nullptr;
int dim = 0;
for (auto extract : test_config.extract) {
ptr = dihedral->extract(extract.first.c_str(), dim);
EXPECT_NE(ptr, nullptr);
EXPECT_EQ(dim, extract.second);
}
ptr = dihedral->extract("does_not_exist", dim);
EXPECT_EQ(ptr, nullptr);
if (!verbose) ::testing::internal::CaptureStdout();
cleanup_lammps(lmp, test_config);
if (!verbose) ::testing::internal::GetCapturedStdout();
}