ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

add "death tests" for no molecule file and molecule file w/o atoms

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-03-02 12:16:12 -05:00
parent 60694b2a94
commit e4ce1de66b
1 changed files with 16 additions and 4 deletions
Download Patch File Download Diff File Expand all files Collapse all files

20
unittest/formats/test_molecule_file.cpp
View File

@ -31,6 +31,8 @@ using testing::StrEq;
using utils::split_words;
#define test_name test_info_->name()
#if defined(OMPI_MAJOR_VERSION)
const bool have_openmpi = true;
#else
@ -89,13 +91,23 @@ protected:
}
};
TEST_F(MoleculeFileTest, nofile)
{
TEST_FAILURE(".*Cannot open molecule file nofile.mol.*",
lmp->input->one("molecule 1 nofile.mol"););
}
TEST_F(MoleculeFileTest, noatom)
{
TEST_FAILURE(".*ERROR: No or invalid atom count in molecule file.*",
run_mol_cmd(test_name,"","Comment\n0 atoms\n1 bonds\n\n"
" Coords\n\nBonds\n\n 1 1 2\n"););
}
TEST_F(MoleculeFileTest, minimal)
{
::testing::internal::CaptureStdout();
run_mol_cmd(test_info_->name(),"","Comment\n"
"1 atoms\n\n"
" Coords\n\n"
" 1 0.0 0.0 0.0\n");
run_mol_cmd(test_name,"","Comment\n1 atoms\n\n Coords\n\n 1 0.0 0.0 0.0\n");
auto output = ::testing::internal::GetCapturedStdout();
if (verbose) std::cout << output;
ASSERT_THAT(output,MatchesRegex(".*Read molecule template.*1 molecules.*1 atoms.*0 bonds.*"));