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Add test utility method EXPECT_FORCES()

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This commit is contained in:
Richard Berger
2021-11-22 16:27:18 -05:00
parent 62b236a7cd
commit 68360b9335
3 changed files with 57 additions and 287 deletions
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12
unittest/force-styles/test_main.cpp
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@ -32,6 +32,7 @@
using LAMMPS_NS::LAMMPS;
using LAMMPS_NS::utils::split_words;
using LAMMPS_NS::utils::trim;
using LAMMPS_NS::tagint;
void EXPECT_STRESS(const std::string & name, double * stress, const stress_t & expected_stress, double epsilon)
{
@ -45,6 +46,17 @@ void EXPECT_STRESS(const std::string & name, double * stress, const stress_t & e
if (print_stats) std::cerr << name << " stats" << stats << std::endl;
}
void EXPECT_FORCES(const std::string & name, double ** f, tagint * tag, int nlocal, const std::vector<coord_t> & f_ref, double epsilon) {
ASSERT_EQ(nlocal + 1, f_ref.size());
ErrorStats stats;
for (int i = 0; i < nlocal; ++i) {
EXPECT_FP_LE_WITH_EPS(f[i][0], f_ref[tag[i]].x, epsilon);
EXPECT_FP_LE_WITH_EPS(f[i][1], f_ref[tag[i]].y, epsilon);
EXPECT_FP_LE_WITH_EPS(f[i][2], f_ref[tag[i]].z, epsilon);
}
if (print_stats) std::cerr << name << " stats, newton on: " << stats << std::endl;
}
// common read_yaml_file function
bool read_yaml_file(const char *infile, TestConfig &config)
{