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add unit test for the extract method of angle styles

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This commit is contained in:
Axel Kohlmeyer
2022-12-23 16:18:18 -05:00
parent 32347792ad
commit a3d8cca25b
1 changed files with 41 additions and 0 deletions
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41
unittest/force-styles/test_angle_style.cpp
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@ -667,3 +667,44 @@ TEST(AngleStyle, single)
cleanup_lammps(lmp, test_config);
if (!verbose) ::testing::internal::GetCapturedStdout();
}
TEST(AngleStyle, extract)
{
if (test_config.skip_tests.count(test_info_->name())) GTEST_SKIP();
const char *args[] = {"AngleStyle", "-log", "none", "-echo", "screen", "-nocite"};
char **argv = (char **)args;
int argc = sizeof(args) / sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout();
LAMMPS *lmp = init_lammps(argc, argv, test_config, true);
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 angle = lmp->force->angle;
void *ptr = nullptr;
int dim = 0;
for (auto extract : test_config.extract) {
ptr = angle->extract(extract.first.c_str(), dim);
EXPECT_NE(ptr, nullptr);
EXPECT_EQ(dim, extract.second);
}
ptr = angle->extract("does_not_exist", dim);
EXPECT_EQ(ptr, nullptr);
for (int i = 1; i <= lmp->atom->nangletypes; ++i)
EXPECT_GE(angle->equilibrium_angle(i), 0.0);
if (!verbose) ::testing::internal::CaptureStdout();
cleanup_lammps(lmp, test_config);
if (!verbose) ::testing::internal::GetCapturedStdout();
}