mirror of https://github.com/lammps/lammps.git
113 lines
4.1 KiB
C++
113 lines
4.1 KiB
C++
/* ----------------------------------------------------------------------
|
|
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.
|
|
------------------------------------------------------------------------- */
|
|
#ifndef TESTCASE_COMPRESSED_DUMP__H
|
|
#define TESTCASE_COMPRESSED_DUMP__H
|
|
|
|
#include "../testing/core.h"
|
|
#include "../testing/systems/melt.h"
|
|
#include <string>
|
|
|
|
extern const char *COMPRESS_SUFFIX;
|
|
extern const char *COMPRESS_EXTENSION;
|
|
extern char *COMPRESS_EXECUTABLE;
|
|
|
|
class CompressedDumpTest : public MeltTest {
|
|
protected:
|
|
std::string dump_style;
|
|
std::string compression_style;
|
|
|
|
public:
|
|
CompressedDumpTest(const std::string &dump_style) : MeltTest(), dump_style(dump_style)
|
|
{
|
|
compression_style = fmt::format("{}/{}", dump_style, COMPRESS_SUFFIX);
|
|
}
|
|
|
|
std::string text_dump_filename(std::string ident)
|
|
{
|
|
return fmt::format("dump_{}_text_{}", COMPRESS_SUFFIX, ident);
|
|
}
|
|
|
|
std::string compressed_dump_filename(std::string ident)
|
|
{
|
|
return fmt::format("dump_{}_compressed_{}.{}", COMPRESS_SUFFIX, ident, COMPRESS_EXTENSION);
|
|
}
|
|
|
|
std::string converted_dump_filename(std::string ident)
|
|
{
|
|
return fmt::format("dump_{}_compressed_{}", COMPRESS_SUFFIX, ident);
|
|
}
|
|
|
|
void enable_triclinic()
|
|
{
|
|
BEGIN_HIDE_OUTPUT();
|
|
command("change_box all triclinic");
|
|
END_HIDE_OUTPUT();
|
|
}
|
|
|
|
void generate_dump(std::string dump_file, std::string dump_modify_options, int ntimesteps)
|
|
{
|
|
BEGIN_HIDE_OUTPUT();
|
|
command(fmt::format("dump id all {} 1 {}", dump_style, dump_file));
|
|
|
|
if (!dump_modify_options.empty()) {
|
|
command(fmt::format("dump_modify id {}", dump_modify_options));
|
|
}
|
|
|
|
command(fmt::format("run {}", ntimesteps));
|
|
END_HIDE_OUTPUT();
|
|
}
|
|
|
|
void generate_text_and_compressed_dump(std::string text_file, std::string compressed_file,
|
|
std::string dump_options,
|
|
std::string dump_modify_options, int ntimesteps)
|
|
{
|
|
generate_text_and_compressed_dump(text_file, compressed_file, dump_options, dump_options,
|
|
dump_modify_options, dump_modify_options, ntimesteps);
|
|
}
|
|
|
|
void generate_text_and_compressed_dump(std::string text_file, std::string compressed_file,
|
|
std::string text_options, std::string compressed_options,
|
|
std::string text_modify_options,
|
|
std::string compressed_modify_options, int ntimesteps)
|
|
{
|
|
BEGIN_HIDE_OUTPUT();
|
|
command(fmt::format("dump id0 all {} 1 {} {}", dump_style, text_file, text_options));
|
|
command(fmt::format("dump id1 all {} 1 {} {}", compression_style, compressed_file,
|
|
compressed_options));
|
|
|
|
if (!text_modify_options.empty()) {
|
|
command(fmt::format("dump_modify id0 {}", text_modify_options));
|
|
}
|
|
|
|
if (!compressed_modify_options.empty()) {
|
|
command(fmt::format("dump_modify id1 {}", compressed_modify_options));
|
|
}
|
|
|
|
command(fmt::format("run {}", ntimesteps));
|
|
END_HIDE_OUTPUT();
|
|
}
|
|
|
|
std::string convert_compressed_to_text(std::string compressed_file)
|
|
{
|
|
BEGIN_HIDE_OUTPUT();
|
|
std::string converted_file = compressed_file.substr(0, compressed_file.find_last_of('.'));
|
|
std::string cmdline =
|
|
fmt::format("\"{}\" -d -c {} > {}", COMPRESS_EXECUTABLE, compressed_file, converted_file);
|
|
system(cmdline.c_str());
|
|
END_HIDE_OUTPUT();
|
|
return converted_file;
|
|
}
|
|
};
|
|
|
|
#endif
|