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add tests for potential file reader and untils functions

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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
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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(); if (!verbose) ::testing::internal::CaptureStdout();
lmp->input->one("units metal"); lmp->input->one("units metal");
@ -208,6 +208,49 @@ TEST_F(PotentialFileReaderTest, Vashishta)
ASSERT_EQ(utils::count_words(line), PairVashishta::NPARAMS_PER_LINE); 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) int main(int argc, char **argv)
{ {
MPI_Init(&argc, &argv); MPI_Init(&argc, &argv);

22
unittest/utils/test_utils.cpp
View File

@ -341,3 +341,25 @@ TEST(Utils, potential_file)
remove("ctest1.txt"); remove("ctest1.txt");
remove("ctest2.txt"); remove("ctest2.txt");
} }
TEST(Utils, unit_conversion)
{
double factor;
int flag;
flag = utils::get_supported_conversions(utils::UNKNOWN);
ASSERT_EQ(flag, utils::NOCONVERT);
flag = utils::get_supported_conversions(utils::ENERGY);
ASSERT_EQ(flag, utils::METAL2REAL | utils::REAL2METAL);
factor = utils::get_conversion_factor(utils::UNKNOWN, 1 << 30 - 1);
ASSERT_DOUBLE_EQ(factor, 0.0);
factor = utils::get_conversion_factor(utils::UNKNOWN, utils::NOCONVERT);
ASSERT_DOUBLE_EQ(factor, 0.0);
factor = utils::get_conversion_factor(utils::ENERGY, utils::NOCONVERT);
ASSERT_DOUBLE_EQ(factor, 1.0);
factor = utils::get_conversion_factor(utils::ENERGY, utils::METAL2REAL);
ASSERT_DOUBLE_EQ(factor, 23.060549);
factor = utils::get_conversion_factor(utils::ENERGY, utils::REAL2METAL);
ASSERT_DOUBLE_EQ(factor, 1.0 / 23.060549);
}