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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
LAMMPS Development team: developers@lammps.org
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "../testing/core.h"
#include "../testing/systems/melt.h"
#include "../testing/utils.h"
#include "fmt/format.h"
#include "utils.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
using ::testing::Eq;
bool verbose = false;
namespace LAMMPS_NS {
class DumpCfgTest : public MeltTest {
std::string dump_style = "cfg";
public:
void generate_dump(const std::string &dump_file, const std::string &fields,
const std::string &dump_modify_options, int ntimesteps)
{
BEGIN_HIDE_OUTPUT();
command(fmt::format("dump id all {} 1 {} {}", dump_style, dump_file, fields));
if (!dump_modify_options.empty()) {
command(fmt::format("dump_modify id {}", dump_modify_options));
}
command(fmt::format("run {}", ntimesteps));
END_HIDE_OUTPUT();
}
};
TEST_F(DumpCfgTest, invalid_options)
{
TEST_FAILURE(".*Dump cfg arguments must start with 'mass type xs ys zs'.*",
command("dump id all cfg 1 dump.cfg id type proc procp1 mass x y z"););
}
TEST_F(DumpCfgTest, require_multifile)
{
const auto *dump_file = "dump.melt.cfg_run.cfg";
const auto *fields =
"mass type xs ys zs id proc procp1 x y z ix iy iz xu yu zu xsu ysu zsu vx vy vz fx fy fz";
BEGIN_HIDE_OUTPUT();
command(fmt::format("dump id all cfg 1 {} {}", dump_file, fields));
END_HIDE_OUTPUT();
TEST_FAILURE(".*Dump cfg requires one snapshot per file.*", command("run 0"););
}
TEST_F(DumpCfgTest, run0)
{
const auto *dump_file = "dump_cfg_run*.melt.cfg";
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_dump(dump_file, fields, "", 0);
ASSERT_FILE_EXISTS("dump_cfg_run0.melt.cfg");
auto lines = read_lines("dump_cfg_run0.melt.cfg");
ASSERT_EQ(lines.size(), 124);
ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
delete_file("dump_cfg_run0.melt.cfg");
}
TEST_F(DumpCfgTest, write_dump)
{
const auto *dump_file = "dump_cfg_run*.melt.cfg";
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
BEGIN_HIDE_OUTPUT();
command("run 0 post no");
command(std::string("write_dump all cfg dump_cfg.melt.cfg ") + fields);
command(std::string("write_dump all cfg dump_cfg*.melt.cfg ") + fields);
END_HIDE_OUTPUT();
ASSERT_FILE_EXISTS("dump_cfg.melt.cfg");
auto lines = read_lines("dump_cfg.melt.cfg");
ASSERT_EQ(lines.size(), 124);
ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
delete_file("dump_cfg.melt.cfg");
ASSERT_FILE_EXISTS("dump_cfg0.melt.cfg");
lines = read_lines("dump_cfg0.melt.cfg");
ASSERT_EQ(lines.size(), 124);
ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
delete_file("dump_cfg0.melt.cfg");
TEST_FAILURE(".*ERROR: Unrecognized dump style 'xxx'.*",
command("write_dump all xxx test.xxx"););
}
TEST_F(DumpCfgTest, unwrap_run0)
{
const auto *dump_file = "dump_cfg_unwrap_run*.melt.cfg";
const auto *fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_dump(dump_file, fields, "", 0);
ASSERT_FILE_EXISTS("dump_cfg_unwrap_run0.melt.cfg");
auto lines = read_lines("dump_cfg_unwrap_run0.melt.cfg");
ASSERT_EQ(lines.size(), 124);
ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
delete_file("dump_cfg_unwrap_run0.melt.cfg");
}
TEST_F(DumpCfgTest, no_buffer_run0)
{
const auto *dump_file = "dump_cfg_no_buffer_run*.melt.cfg";
const auto *fields = "mass type xsu ysu zsu id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_dump(dump_file, fields, "buffer no", 0);
ASSERT_FILE_EXISTS("dump_cfg_no_buffer_run0.melt.cfg");
auto lines = read_lines("dump_cfg_no_buffer_run0.melt.cfg");
ASSERT_EQ(lines.size(), 124);
ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
delete_file("dump_cfg_no_buffer_run0.melt.cfg");
}
TEST_F(DumpCfgTest, no_unwrap_no_buffer_run0)
{
const auto *dump_file = "dump_cfg_no_unwrap_no_buffer_run*.melt.cfg";
const auto *fields = "mass type xs ys zs id proc procp1 x y z ix iy iz vx vy vz fx fy fz";
generate_dump(dump_file, fields, "buffer no", 0);
ASSERT_FILE_EXISTS("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg");
auto lines = read_lines("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg");
ASSERT_EQ(lines.size(), 124);
ASSERT_THAT(lines[0], Eq("Number of particles = 32"));
delete_file("dump_cfg_no_unwrap_no_buffer_run0.melt.cfg");
}
} // namespace LAMMPS_NS
int main(int argc, char **argv)
{
MPI_Init(&argc, &argv);
::testing::InitGoogleMock(&argc, argv);
// handle arguments passed via environment variable
if (const char *var = getenv("TEST_ARGS")) {
std::vector<std::string> env = LAMMPS_NS::utils::split_words(var);
for (auto arg : env) {
if (arg == "-v") {
verbose = true;
}
}
}
if ((argc > 1) && (strcmp(argv[1], "-v") == 0)) verbose = true;
int rv = RUN_ALL_TESTS();
MPI_Finalize();
return rv;
}
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