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Start refactoring tests

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This commit is contained in:
Richard Berger
2021-03-26 11:50:58 -04:00
parent b1efdda75c
commit 664335420a
2 changed files with 107 additions and 88 deletions
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120
unittest/formats/test_potential_file_reader.cpp
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@ -28,37 +28,17 @@
#include "potential_file_reader.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include "../testing/core.h"
#include <cstring>
#include <iostream>
#include <mpi.h>
#include <vector>
#if defined(OMPI_MAJOR_VERSION)
const bool have_openmpi = true;
#else
const bool have_openmpi = false;
#endif
using namespace LAMMPS_NS;
using ::testing::MatchesRegex;
using utils::split_words;
#define TEST_FAILURE(errmsg, ...) \
if (Info::has_exceptions()) { \
::testing::internal::CaptureStdout(); \
ASSERT_ANY_THROW({__VA_ARGS__}); \
auto mesg = ::testing::internal::GetCapturedStdout(); \
ASSERT_THAT(mesg, MatchesRegex(errmsg)); \
} else { \
if (!have_openmpi) { \
::testing::internal::CaptureStdout(); \
ASSERT_DEATH({__VA_ARGS__}, ""); \
auto mesg = ::testing::internal::GetCapturedStdout(); \
ASSERT_THAT(mesg, MatchesRegex(errmsg)); \
} \
}
// whether to print verbose output (i.e. not capturing LAMMPS screen output).
bool verbose = false;
@ -75,38 +55,16 @@ const int LAMMPS_NS::PairNb3bHarmonic::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairVashishta::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffTable::NPARAMS_PER_LINE;
class PotentialFileReaderTest : public ::testing::Test {
protected:
LAMMPS *lmp;
void SetUp() override
{
const char *args[] = {
"PotentialFileReaderTest", "-log", "none", "-echo", "screen", "-nocite"};
char **argv = (char **)args;
int argc = sizeof(args) / sizeof(char *);
if (!verbose) ::testing::internal::CaptureStdout();
lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
if (!verbose) ::testing::internal::GetCapturedStdout();
}
void TearDown() override
{
if (!verbose) ::testing::internal::CaptureStdout();
delete lmp;
if (!verbose) ::testing::internal::GetCapturedStdout();
}
void command(const std::string &cmd) { lmp->input->one(cmd); }
class PotentialFileReaderTest : public LAMMPSTest {
};
// open for native units
TEST_F(PotentialFileReaderTest, Sw_native)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "Si.sw", "Stillinger-Weber");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairSW::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairSW::NPARAMS_PER_LINE);
@ -115,10 +73,10 @@ TEST_F(PotentialFileReaderTest, Sw_native)
// open with supported conversion enabled
TEST_F(PotentialFileReaderTest, Sw_conv)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units real");
PotentialFileReader reader(lmp, "Si.sw", "Stillinger-Weber", utils::METAL2REAL);
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairSW::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairSW::NPARAMS_PER_LINE);
@ -127,9 +85,9 @@ TEST_F(PotentialFileReaderTest, Sw_conv)
// open without conversion enabled
TEST_F(PotentialFileReaderTest, Sw_noconv)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units real");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
TEST_FAILURE(".*ERROR on proc.*potential.*requires metal units but real.*",
PotentialFileReader reader(lmp, "Si.sw", "Stillinger-Weber", utils::REAL2METAL););
@ -137,10 +95,10 @@ TEST_F(PotentialFileReaderTest, Sw_noconv)
TEST_F(PotentialFileReaderTest, Comb)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "ffield.comb", "COMB");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairComb::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairComb::NPARAMS_PER_LINE);
@ -148,10 +106,10 @@ TEST_F(PotentialFileReaderTest, Comb)
TEST_F(PotentialFileReaderTest, Comb3)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "ffield.comb3", "COMB3");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairComb3::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairComb3::NPARAMS_PER_LINE);
@ -159,10 +117,10 @@ TEST_F(PotentialFileReaderTest, Comb3)
TEST_F(PotentialFileReaderTest, Tersoff)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "Si.tersoff", "Tersoff");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoff::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoff::NPARAMS_PER_LINE);
@ -170,10 +128,10 @@ TEST_F(PotentialFileReaderTest, Tersoff)
TEST_F(PotentialFileReaderTest, TersoffMod)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "Si.tersoff.mod", "Tersoff/Mod");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoffMOD::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffMOD::NPARAMS_PER_LINE);
@ -181,10 +139,10 @@ TEST_F(PotentialFileReaderTest, TersoffMod)
TEST_F(PotentialFileReaderTest, TersoffModC)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "Si.tersoff.modc", "Tersoff/ModC");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoffMODC::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffMODC::NPARAMS_PER_LINE);
@ -192,10 +150,10 @@ TEST_F(PotentialFileReaderTest, TersoffModC)
TEST_F(PotentialFileReaderTest, TersoffTable)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "Si.tersoff", "TersoffTable");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoffTable::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffTable::NPARAMS_PER_LINE);
@ -203,10 +161,10 @@ TEST_F(PotentialFileReaderTest, TersoffTable)
TEST_F(PotentialFileReaderTest, TersoffZBL)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "SiC.tersoff.zbl", "Tersoff/ZBL");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairTersoffZBL::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairTersoffZBL::NPARAMS_PER_LINE);
@ -214,10 +172,10 @@ TEST_F(PotentialFileReaderTest, TersoffZBL)
TEST_F(PotentialFileReaderTest, GW)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "SiC.gw", "GW");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairGW::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairGW::NPARAMS_PER_LINE);
@ -225,10 +183,10 @@ TEST_F(PotentialFileReaderTest, GW)
TEST_F(PotentialFileReaderTest, GWZBL)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "SiC.gw.zbl", "GW/ZBL");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairGWZBL::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairGWZBL::NPARAMS_PER_LINE);
@ -236,10 +194,10 @@ TEST_F(PotentialFileReaderTest, GWZBL)
TEST_F(PotentialFileReaderTest, Nb3bHarmonic)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units real");
PotentialFileReader reader(lmp, "MOH.nb3b.harmonic", "NB3B Harmonic");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairNb3bHarmonic::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairNb3bHarmonic::NPARAMS_PER_LINE);
@ -247,10 +205,10 @@ TEST_F(PotentialFileReaderTest, Nb3bHarmonic)
TEST_F(PotentialFileReaderTest, Vashishta)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
PotentialFileReader reader(lmp, "SiC.vashishta", "Vashishta");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
auto line = reader.next_line(PairVashishta::NPARAMS_PER_LINE);
ASSERT_EQ(utils::count_words(line), PairVashishta::NPARAMS_PER_LINE);
@ -261,38 +219,38 @@ TEST_F(PotentialFileReaderTest, UnitConvert)
PotentialFileReader *reader;
int unit_convert, flag;
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
command("units metal");
reader = new PotentialFileReader(lmp, "Si.sw", "Stillinger-Weber");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
unit_convert = reader->get_unit_convert();
ASSERT_EQ(unit_convert, 0);
delete reader;
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
flag = utils::get_supported_conversions(utils::UNKNOWN);
reader = new PotentialFileReader(lmp, "Si.sw", "Stillinger-Weber", flag);
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
unit_convert = reader->get_unit_convert();
ASSERT_EQ(unit_convert, 0);
delete reader;
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
flag = utils::get_supported_conversions(utils::ENERGY);
reader = new PotentialFileReader(lmp, "Si.sw", "Stillinger-Weber", flag);
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
unit_convert = reader->get_unit_convert();
ASSERT_EQ(unit_convert, 0);
delete reader;
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
flag = utils::get_supported_conversions(utils::ENERGY);
command("units real");
reader = new PotentialFileReader(lmp, "Si.sw", "Stillinger-Weber", flag);
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
unit_convert = reader->get_unit_convert();
ASSERT_EQ(unit_convert, utils::METAL2REAL);
@ -304,7 +262,7 @@ int main(int argc, char **argv)
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
if (have_openmpi && !LAMMPS_NS::Info::has_exceptions())
if (Info::get_mpi_vendor() == "Open MPI" && !LAMMPS_NS::Info::has_exceptions())
std::cout << "Warning: using OpenMPI without exceptions. "
"Death tests will be skipped\n";