104 lines
3.4 KiB
C++
104 lines
3.4 KiB
C++
#include "gmock/gmock.h"
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#include "gtest/gtest.h"
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#include "potential_file_reader.h"
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#include "lammps.h"
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#include "utils.h"
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#include "MANYBODY/pair_sw.h"
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#include "MANYBODY/pair_comb.h"
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#include "MANYBODY/pair_comb3.h"
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#include "MANYBODY/pair_tersoff.h"
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#include "MANYBODY/pair_tersoff_mod.h"
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#include "MANYBODY/pair_tersoff_mod_c.h"
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#include <mpi.h>
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using namespace LAMMPS_NS;
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const int LAMMPS_NS::PairSW::NPARAMS_PER_LINE;
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const int LAMMPS_NS::PairComb::NPARAMS_PER_LINE;
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const int LAMMPS_NS::PairComb3::NPARAMS_PER_LINE;
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const int LAMMPS_NS::PairTersoff::NPARAMS_PER_LINE;
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const int LAMMPS_NS::PairTersoffMOD::NPARAMS_PER_LINE;
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const int LAMMPS_NS::PairTersoffMODC::NPARAMS_PER_LINE;
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class PotenialFileReaderTest : public ::testing::Test {
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protected:
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LAMMPS * lmp;
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void SetUp() override {
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const char *args[] = {"PotentialFileReaderTest", "-log", "none", "-echo", "screen", "-nocite" };
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char **argv = (char **)args;
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int argc = sizeof(args)/sizeof(char *);
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::testing::internal::CaptureStdout();
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lmp = new LAMMPS(argc, argv, MPI_COMM_WORLD);
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::testing::internal::GetCapturedStdout();
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}
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void TearDown() override {
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::testing::internal::CaptureStdout();
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delete lmp;
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::testing::internal::GetCapturedStdout();
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}
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};
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TEST_F(PotenialFileReaderTest, Si) {
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::testing::internal::CaptureStdout();
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PotentialFileReader reader(lmp, "Si.sw", "Stillinger-Weber");
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::testing::internal::GetCapturedStdout();
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auto line = reader.next_line(PairSW::NPARAMS_PER_LINE);
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ASSERT_EQ(utils::count_words(line), PairSW::NPARAMS_PER_LINE);
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}
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TEST_F(PotenialFileReaderTest, Comb) {
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::testing::internal::CaptureStdout();
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PotentialFileReader reader(lmp, "ffield.comb", "COMB");
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::testing::internal::GetCapturedStdout();
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auto line = reader.next_line(PairComb::NPARAMS_PER_LINE);
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ASSERT_EQ(utils::count_words(line), PairComb::NPARAMS_PER_LINE);
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}
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TEST_F(PotenialFileReaderTest, Comb3) {
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::testing::internal::CaptureStdout();
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PotentialFileReader reader(lmp, "ffield.comb3", "COMB3");
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::testing::internal::GetCapturedStdout();
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auto line = reader.next_line(PairComb3::NPARAMS_PER_LINE);
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ASSERT_EQ(utils::count_words(line), PairComb3::NPARAMS_PER_LINE);
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}
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TEST_F(PotenialFileReaderTest, Tersoff) {
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::testing::internal::CaptureStdout();
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PotentialFileReader reader(lmp, "Si.tersoff", "Tersoff");
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::testing::internal::GetCapturedStdout();
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auto line = reader.next_line(PairTersoff::NPARAMS_PER_LINE);
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ASSERT_EQ(utils::count_words(line), PairTersoff::NPARAMS_PER_LINE);
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}
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TEST_F(PotenialFileReaderTest, TersoffMod) {
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::testing::internal::CaptureStdout();
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PotentialFileReader reader(lmp, "Si.tersoff.mod", "Tersoff");
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::testing::internal::GetCapturedStdout();
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auto line = reader.next_line(PairTersoffMOD::NPARAMS_PER_LINE);
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ASSERT_EQ(utils::count_words(line), PairTersoffMOD::NPARAMS_PER_LINE);
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}
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TEST_F(PotenialFileReaderTest, TersoffModC) {
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::testing::internal::CaptureStdout();
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PotentialFileReader reader(lmp, "Si.tersoff.modc", "Tersoff");
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::testing::internal::GetCapturedStdout();
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auto line = reader.next_line(PairTersoffMODC::NPARAMS_PER_LINE);
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ASSERT_EQ(utils::count_words(line), PairTersoffMODC::NPARAMS_PER_LINE);
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}
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int main(int argc, char **argv)
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{
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MPI_Init(&argc, &argv);
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::testing::InitGoogleMock(&argc, argv);
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return RUN_ALL_TESTS();
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}
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