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Refactoring of more tests

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This commit is contained in:
Richard Berger
2021-03-29 14:27:42 -04:00
parent 1752bd0276
commit aaf9aa6d69
19 changed files with 627 additions and 847 deletions
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44
unittest/formats/test_eim_potential_file_reader.cpp
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@ -18,6 +18,7 @@
#include "utils.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include "../testing/core.h"
#include <cstring>
#include <mpi.h>
@ -28,28 +29,23 @@ using utils::split_words;
// whether to print verbose output (i.e. not capturing LAMMPS screen output).
bool verbose = false;
class EIMPotentialFileReaderTest : public ::testing::Test {
class EIMPotentialFileReaderTest : public LAMMPSTest {
protected:
LAMMPS *lmp;
PairEIM::Setfl setfl;
static const int nelements = 9;
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);
lmp->input->one("units metal");
if (!verbose) ::testing::internal::GetCapturedStdout();
testbinary = "EIMPotentialFileReaderTest";
LAMMPSTest::SetUp();
ASSERT_NE(lmp, nullptr);
BEGIN_HIDE_OUTPUT();
command("units metal");
END_HIDE_OUTPUT();
// check if the prerequisite eim pair style is available
Info *info = new Info(lmp);
ASSERT_TRUE(info->has_style("pair", "eim"));
delete info;
int npair = nelements * (nelements + 1) / 2;
setfl.ielement = new int[nelements];
@ -99,17 +95,15 @@ protected:
delete[] setfl.rs;
delete[] setfl.tp;
if (!verbose) ::testing::internal::CaptureStdout();
delete lmp;
if (!verbose) ::testing::internal::GetCapturedStdout();
LAMMPSTest::TearDown();
}
};
TEST_F(EIMPotentialFileReaderTest, global_line)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
EIMPotentialFileReader reader(lmp, "ffield.eim");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
reader.get_global(&setfl);
ASSERT_DOUBLE_EQ(setfl.division, 2.0);
@ -119,9 +113,9 @@ TEST_F(EIMPotentialFileReaderTest, global_line)
TEST_F(EIMPotentialFileReaderTest, element_line_sequential)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
EIMPotentialFileReader reader(lmp, "ffield.eim");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
reader.get_element(&setfl, 0, "Li");
ASSERT_EQ(setfl.ielement[0], 3);
@ -144,9 +138,9 @@ TEST_F(EIMPotentialFileReaderTest, element_line_sequential)
TEST_F(EIMPotentialFileReaderTest, element_line_random)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
EIMPotentialFileReader reader(lmp, "ffield.eim");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
reader.get_element(&setfl, 0, "Id");
ASSERT_EQ(setfl.ielement[0], 53);
@ -160,9 +154,9 @@ TEST_F(EIMPotentialFileReaderTest, element_line_random)
TEST_F(EIMPotentialFileReaderTest, pair_line)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
EIMPotentialFileReader reader(lmp, "ffield.eim");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
reader.get_pair(&setfl, 0, "Li", "Li");
ASSERT_DOUBLE_EQ(setfl.rcutphiA[0], 6.0490e+00);
@ -183,9 +177,9 @@ TEST_F(EIMPotentialFileReaderTest, pair_line)
TEST_F(EIMPotentialFileReaderTest, pair_identical)
{
if (!verbose) ::testing::internal::CaptureStdout();
BEGIN_HIDE_OUTPUT();
EIMPotentialFileReader reader(lmp, "ffield.eim");
if (!verbose) ::testing::internal::GetCapturedStdout();
END_HIDE_OUTPUT();
reader.get_pair(&setfl, 0, "Li", "Na");
reader.get_pair(&setfl, 1, "Na", "Li");