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

add tests for potential file reader and untils functions

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-06-25 08:00:04 -04:00
parent 3bb3037b55
commit 22d8d0d0b0
2 changed files with 66 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

45
unittest/formats/test_potential_file_reader.cpp
View File

@ -76,7 +76,7 @@ protected:
}
};
TEST_F(PotentialFileReaderTest, Si)
TEST_F(PotentialFileReaderTest, Sw)
{
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("units metal");
@ -208,6 +208,49 @@ TEST_F(PotentialFileReaderTest, Vashishta)
ASSERT_EQ(utils::count_words(line), PairVashishta::NPARAMS_PER_LINE);
}
TEST_F(PotentialFileReaderTest, UnitConvert)
{
PotentialFileReader *reader;
int unit_convert, flag;
if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("units metal");
reader = new PotentialFileReader(lmp, "Si.sw", "Stillinger-Weber");
if (!verbose) ::testing::internal::GetCapturedStdout();
unit_convert = reader->get_unit_convert();
ASSERT_EQ(unit_convert, 0);
delete reader;
if (!verbose) ::testing::internal::CaptureStdout();
flag = utils::get_supported_conversions(utils::UNKNOWN);
reader = new PotentialFileReader(lmp, "Si.sw", "Stillinger-Weber", flag);
if (!verbose) ::testing::internal::GetCapturedStdout();
unit_convert = reader->get_unit_convert();
ASSERT_EQ(unit_convert, 0);
delete reader;
if (!verbose) ::testing::internal::CaptureStdout();
flag = utils::get_supported_conversions(utils::ENERGY);
reader = new PotentialFileReader(lmp, "Si.sw", "Stillinger-Weber", flag);
if (!verbose) ::testing::internal::GetCapturedStdout();
unit_convert = reader->get_unit_convert();
ASSERT_EQ(unit_convert, 0);
delete reader;
if (!verbose) ::testing::internal::CaptureStdout();
flag = utils::get_supported_conversions(utils::ENERGY);
lmp->input->one("units real");
reader = new PotentialFileReader(lmp, "Si.sw", "Stillinger-Weber", flag);
if (!verbose) ::testing::internal::GetCapturedStdout();
unit_convert = reader->get_unit_convert();
ASSERT_EQ(unit_convert, utils::METAL2REAL);
delete reader;
}
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);