initial version of LAMMPS shell. without build system support (yet).
This commit is contained in:
Axel Kohlmeyer
300
tools/lammps-shell/lammps-shell.cpp
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300
tools/lammps-shell/lammps-shell.cpp
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// LAMMPS Shell. An improved interactive LAMMPS session with
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// command line editing, history, TAB expansion and shell escapes
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// Copyright (c) 2020 Axel Kohlmeyer <akohlmey@gmail.com>
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#include "library.h"
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#include "utils.h"
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#include <cstdio>
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#include <cstdlib>
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#include <cstring>
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#include <ctime>
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#include <iostream>
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#include <string>
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#include <vector>
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#if !defined(_WIN32)
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#include <unistd.h>
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#else
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#if !defined(WIN32_LEAN_AND_MEAN)
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#define WIN32_LEAN_AND_MEAN
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#endif
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#include <io.h>
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#include <windows.h>
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#define isatty(x) _isatty(x)
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#endif
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#include <readline/history.h>
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#include <readline/readline.h>
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using namespace LAMMPS_NS;
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const int buflen = 512;
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char buf[buflen];
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std::vector<std::string> commands;
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// this list of commands is generated by:
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// grep '!strcmp(command,' ../../src/input.cpp | sed -e 's/^.*!strcmp(command,"\(.*\)".*$/"\1",/'
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const char *cmdlist[] = {"clear",
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"echo",
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"if",
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"include",
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"jump",
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"label",
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"log",
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"next",
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"partition",
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"print",
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"python",
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"quit",
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"shell",
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"variable",
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"angle_coeff",
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"angle_style",
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"atom_modify",
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"atom_style",
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"bond_coeff",
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"bond_style",
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"bond_write",
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"boundary",
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"box",
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"comm_modify",
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"comm_style",
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"compute",
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"compute_modify",
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"dielectric",
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"dihedral_coeff",
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"dihedral_style",
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"dimension",
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"dump",
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"dump_modify",
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"fix",
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"fix_modify",
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"group",
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"improper_coeff",
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"improper_style",
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"kspace_modify",
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"kspace_style",
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"lattice",
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"mass",
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"min_modify",
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"min_style",
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"molecule",
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"neigh_modify",
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"neighbor",
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"newton",
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"package",
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"pair_coeff",
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"pair_modify",
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"pair_style",
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"pair_write",
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"processors",
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"region",
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"reset_timestep",
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"restart",
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"run_style",
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"special_bonds",
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"suffix",
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"thermo",
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"thermo_modify",
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"thermo_style",
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"timestep",
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"timer",
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"uncompute",
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"undump",
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"unfix",
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"units"};
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static char *dupstring(const std::string &text)
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{
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int len = text.size() + 1;
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char *copy = (char *)malloc(len);
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strcpy(copy, text.c_str());
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return copy;
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}
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extern "C" {
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static char *cmd_generator(const char *text, int state)
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{
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static std::size_t idx;
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if (!state) idx = 0;
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do {
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if (commands[idx].substr(0, strlen(text)) == text)
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return dupstring(commands[idx++]);
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else
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++idx;
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} while (idx < commands.size());
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return nullptr;
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}
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static char **cmd_completion(const char *text, int start, int)
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{
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char **matches = nullptr;
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if (start == 0) {
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// match command names from the beginning of a line
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matches = rl_completion_matches(text, cmd_generator);
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} else {
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// try to provide context specific matches
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// first split the already completed text
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auto words = utils::split_words(std::string(rl_line_buffer).substr(0, start));
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// these commands have a group id as 3rd word
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if ((words.size() == 2) &&
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((words[0] == "fix") || (words[0] == "compute") || (words[0] == "dump"))) {
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std::cout << "#words: " << words.size() << "\n";
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}
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}
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return matches;
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}
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} // end of extern "C"
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static void init_commands(void *lmp)
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{
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// store internal commands
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int ncmds = sizeof(cmdlist) / sizeof(const char *);
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for (int i = 0; i < ncmds; ++i)
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commands.push_back(cmdlist[i]);
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// store optional commands from command styles
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ncmds = lammps_style_count(lmp, "command");
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for (int i = 0; i < ncmds; ++i) {
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if (lammps_style_name(lmp, "command", i, buf, buflen)) commands.push_back(buf);
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}
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// store LAMMPS shell specific command names
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commands.push_back("help");
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commands.push_back("exit");
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commands.push_back("history");
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commands.push_back("clear_history");
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// set name so there can be specific entries in ~/.inputrc
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rl_readline_name = "lammps-shell";
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// attempt completions only if we have are connected to tty,
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// otherwise any tabs in redirected input will cause havoc.
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if (isatty(fileno(stdin))) {
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rl_attempted_completion_function = cmd_completion;
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} else {
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rl_bind_key('\t', rl_insert);
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}
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// read old history
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read_history(".lammps_history");
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}
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static int help_cmd()
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{
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std::cout << "\nThis is the LAMMPS Shell. An interactive LAMMPS session with command \n"
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"line editing, context aware command expansion, and history.\n\n"
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"- Hit the TAB key any time to try to expand the current word\n"
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"- Issue shell commands by prefixing them with '|' (Example: '|ls -la')\n"
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"- Use the '!' character for bash-like history epansion. (Example: '!run)\n\n"
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"A history of the session will be written to the a file '.lammps_history'\n"
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"in the current working directory and - if present - this file will be\n"
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"read at the beginning of the next session of the LAMMPS shell.\n\n";
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return 0;
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}
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static int lammps_end(void *&lmp)
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{
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write_history(".lammps_history");
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if (lmp) lammps_close(lmp);
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lmp = nullptr;
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return 0;
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}
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static int lammps_cmd(void *&lmp, const std::string &cmd)
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{
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char *expansion;
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char *text = dupstring(cmd);
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int retval = history_expand(text, &expansion);
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// history expansion error
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if (retval < 0) {
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free(text);
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free(expansion);
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std::cout << "History error: " << utils::getsyserror() << "\n";
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return 1;
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}
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// use expanded or original text and add to history
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if (retval > 0) {
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free(text);
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text = expansion;
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} else
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free(expansion);
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add_history(text);
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// only print, don't execute.
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if (retval == 2) {
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std::cout << text << "\n";
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free(text);
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return 0;
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}
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// check for commands particular to lammps-shell
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auto words = utils::split_words(text);
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if (words[0][0] == '|') {
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int rv = system(text + 1);
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free(text);
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return rv;
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} else if ((words[0] == "help") || (words[0] == "?")) {
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free(text);
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return help_cmd();
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} else if (words[0] == "exit") {
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free(text);
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return lammps_end(lmp);
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} else if (words[0] == "history") {
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free(text);
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HIST_ENTRY **list = history_list();
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for (int i = 0; i < history_length; ++i) {
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std::cout << i + history_base << ": " << list[i]->line << "\n";
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}
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return 0;
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} else if (words[0] == "clear_history") {
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free(text);
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clear_history();
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return 0;
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}
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lammps_command(lmp, text);
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free(text);
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return lammps_has_error(lmp);
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}
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int main(int argc, char **argv)
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{
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char *line;
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std::string trimmed;
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void *lmp = lammps_open_no_mpi(argc, argv, nullptr);
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if (lmp == nullptr) return 1;
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using_history();
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init_commands(lmp);
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// pre-load an input file that was provided on the command line
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for (int i = 0; i < argc; ++i) {
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if ((strcmp(argv[i], "-in") == 0) || (strcmp(argv[i], "-i") == 0)) {
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lammps_file(lmp, argv[i + 1]);
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}
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}
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while (lmp != nullptr) {
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line = readline("LAMMPS Shell> ");
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if (!line) break;
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trimmed = utils::trim(line);
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if (trimmed.size() > 0) {
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lammps_cmd(lmp, trimmed);
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}
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free(line);
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}
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return lammps_end(lmp);
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}
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