forked from lijiext/lammps
677 lines
23 KiB
C++
677 lines
23 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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/* ----------------------------------------------------------------------
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Contributing author: Axel Kohlmeyer (Temple U)
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------------------------------------------------------------------------- */
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#include "string.h"
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#include "info.h"
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#include "accelerator_cuda.h"
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#include "accelerator_kokkos.h"
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#include "atom.h"
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#include "comm.h"
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#include "compute.h"
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#include "domain.h"
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#include "dump.h"
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#include "fix.h"
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#include "force.h"
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#include "pair.h"
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#include "group.h"
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#include "input.h"
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#include "modify.h"
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#include "neighbor.h"
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#include "output.h"
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#include "region.h"
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#include "universe.h"
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#include "variable.h"
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#include "update.h"
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#include "error.h"
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#include <time.h>
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#ifdef _WIN32
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#define PSAPI_VERSION=1
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#include <windows.h>
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#include <stdint.h>
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#include <psapi.h>
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#else
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#include <sys/time.h>
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#include <sys/resource.h>
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#include <sys/utsname.h>
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#endif
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#if defined __linux
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#include <malloc.h>
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#endif
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namespace LAMMPS_NS {
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// same as in variable.cpp
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enum {INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,GETENV,
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SCALARFILE,ATOMFILE,FORMAT,EQUAL,ATOM,PYTHON};
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enum {COMPUTES=1<<0,
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DUMPS=1<<1,
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FIXES=1<<2,
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GROUPS=1<<3,
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REGIONS=1<<4,
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CONFIG=1<<5,
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TIME=1<<6,
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VARIABLES=1<<7,
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SYSTEM=1<<8,
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COMM=1<<9,
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ALL=~0};
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}
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static const char *varstyles[] = {
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"index", "loop", "world", "universe", "uloop", "string", "getenv",
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"file", "atomfile", "format", "equal", "atom", "python", "(unknown)"};
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static const char *mapstyles[] = { "none", "array", "hash" };
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static const char *commstyles[] = { "brick", "tiled" };
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static const char *commlayout[] = { "uniform", "nonuniform", "irregular" };
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static const char bstyles[] = "pfsm";
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using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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void Info::command(int narg, char **arg)
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{
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FILE *out=screen;
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int flags=0;
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if (comm->me != 0) return;
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// parse arguments
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int idx = 0;
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while (idx < narg) {
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if (strncmp(arg[idx],"all",3) == 0) {
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flags |= ALL;
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++idx;
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} else if ((idx+1 < narg) && (strncmp(arg[idx],"out",3) == 0)
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&& (strncmp(arg[idx+1],"screen",3) == 0)) {
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if ((out != screen) && (out != logfile)) fclose(out);
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out = screen;
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idx += 2;
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} else if ((idx+1 < narg) && (strncmp(arg[idx],"out",3) == 0)
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&& (strncmp(arg[idx+1],"log",3) == 0)) {
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if ((out != screen) && (out != logfile)) fclose(out);
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out = logfile;
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idx += 2;
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} else if ((idx+2 < narg) && (strncmp(arg[idx],"out",3) == 0)
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&& (strncmp(arg[idx+1],"append",3) == 0)) {
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if ((out != screen) && (out != logfile)) fclose(out);
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out = fopen(arg[idx+2],"a");
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idx += 3;
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} else if ((idx+2 < narg) && (strncmp(arg[idx],"out",3) == 0)
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&& (strncmp(arg[idx+1],"overwrite",3) == 0)) {
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if ((out != screen) && (out != logfile)) fclose(out);
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out = fopen(arg[idx+2],"w");
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idx += 3;
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} else if (strncmp(arg[idx],"communication",4) == 0) {
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flags |= COMM;
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++idx;
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} else if (strncmp(arg[idx],"computes",4) == 0) {
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flags |= COMPUTES;
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++idx;
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} else if (strncmp(arg[idx],"dumps",3) == 0) {
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flags |= DUMPS;
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++idx;
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} else if (strncmp(arg[idx],"fixes",3) == 0) {
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flags |= FIXES;
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++idx;
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} else if (strncmp(arg[idx],"groups",3) == 0) {
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flags |= GROUPS;
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++idx;
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} else if (strncmp(arg[idx],"regions",3) == 0) {
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flags |= REGIONS;
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++idx;
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} else if (strncmp(arg[idx],"config",3) == 0) {
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flags |= CONFIG;
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++idx;
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} else if (strncmp(arg[idx],"time",3) == 0) {
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flags |= TIME;
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++idx;
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} else if (strncmp(arg[idx],"variables",3) == 0) {
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flags |= VARIABLES;
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++idx;
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} else if (strncmp(arg[idx],"system",3) == 0) {
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flags |= SYSTEM;
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++idx;
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} else {
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error->warning(FLERR,"Ignoring unknown or incorrect info command flag");
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++idx;
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}
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}
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if (out == NULL) return;
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fputs("\nInfo-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info\n",out);
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time_t now = time(NULL);
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fprintf(out,"Printed on %s\n",ctime(&now));
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if (flags & CONFIG) {
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fprintf(out,"\nLAMMPS version: %s / %s\n",
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universe->version, universe->num_ver);
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fprintf(out,"sizeof(smallint): %3d-bit\n",(int)sizeof(smallint)*8);
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fprintf(out,"sizeof(imageint): %3d-bit\n",(int)sizeof(imageint)*8);
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fprintf(out,"sizeof(tagint): %3d-bit\n",(int)sizeof(tagint)*8);
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fprintf(out,"sizeof(bigint): %3d-bit\n",(int)sizeof(bigint)*8);
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#if defined(_WIN32)
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DWORD fullversion,majorv,minorv,buildv=0;
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fullversion = GetVersion();
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majorv = (DWORD) (LOBYTE(LOWORD(fullversion)));
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minorv = (DWORD) (HIBYTE(LOWORD(fullversion)));
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if (fullversion < 0x80000000)
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buildv = (DWORD) (HIWORD(fullversion));
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SYSTEM_INFO si;
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GetSystemInfo(&si);
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const char *machine;
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switch (si.wProcessorArchitecture) {
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case PROCESSOR_ARCHITECTURE_AMD64:
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machine = (const char *) "x86_64";
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break;
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case PROCESSOR_ARCHITECTURE_ARM:
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machine = (const char *) "arm";
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break;
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case PROCESSOR_ARCHITECTURE_IA64:
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machine = (const char *) "ia64";
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break;
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case PROCESSOR_ARCHITECTURE_INTEL:
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machine = (const char *) "i386";
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break;
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default:
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machine = (const char *) "(unknown)";
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}
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fprintf(out,"\nOS information: Windows %d.%d (%d) on %s\n",
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majorv,minorv,buildv,machine);
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#else
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struct utsname ut;
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uname(&ut);
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fprintf(out,"\nOS information: %s %s on %s\n",
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ut.sysname, ut.release, ut.machine);
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#endif
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fprintf(out,"\nMemory allocation information (MPI rank 0)\n");
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#if defined(_WIN32)
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HANDLE phandle = GetCurrentProcess();
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PROCESS_MEMORY_COUNTERS_EX pmc;
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GetProcessMemoryInfo(phandle,(PROCESS_MEMORY_COUNTERS *)&pmc,sizeof(pmc));
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fprintf(out,"Non-shared memory use: %.3g Mbyte\n",
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(double)pmc.PrivateUsage/1048576.0);
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fprintf(out,"Maximum working set size: %.3g Mbyte\n",
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(double)pmc.PeakWorkingSetSize/1048576.0);
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#else
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#if defined(__linux)
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struct mallinfo mi;
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mi = mallinfo();
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fprintf(out,"Total dynamically allocated memory: %.3g Mbyte\n",
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(double)mi.uordblks/1048576.0);
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#endif
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struct rusage ru;
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if (getrusage(RUSAGE_SELF, &ru) == 0) {
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fprintf(out,"Maximum resident set size: %.3g Mbyte\n",
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(double)ru.ru_maxrss/1024.0);
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}
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#endif
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}
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if (flags & COMM) {
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int major,minor;
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MPI_Get_version(&major,&minor);
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fprintf(out,"\nCommunication information:\n");
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fprintf(out,"MPI library level: MPI v%d.%d\n",major,minor);
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fprintf(out,"Comm style = %s, Comm layout = %s\n",
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commstyles[comm->style], commlayout[comm->layout]);
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fprintf(out,"Communicate velocities for ghost atoms = %s\n",
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comm->ghost_velocity ? "yes" : "no");
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if (comm->mode == 0) {
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fprintf(out,"Communication mode = single\n");
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fprintf(out,"Communication cutoff = %g\n",
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MAX(comm->cutghostuser,neighbor->cutneighmax));
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}
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if (comm->mode == 1) {
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fprintf(out,"Communication mode = multi\n");
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double cut;
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for (int i=1; i <= atom->ntypes && neighbor->cuttype; ++i) {
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cut = neighbor->cuttype[i];
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if (comm->cutusermulti) cut = MAX(cut,comm->cutusermulti[i]);
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fprintf(out,"Communication cutoff for type %d = %g\n", i, cut);
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}
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}
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fprintf(out,"Nprocs = %d Nthreads = %d\n",
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comm->nprocs, comm->nthreads);
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fprintf(out,"Processor grid = %d x %d x %d\n",comm->procgrid[0],
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comm->procgrid[1], comm->procgrid[2]);
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}
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if (flags & SYSTEM) {
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fprintf(out,"\nSystem information:\n");
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fprintf(out,"Units = %s\n",update->unit_style);
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fprintf(out,"Atom style = %s\n", atom->atom_style);
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fprintf(out,"Atom map = %s\n", mapstyles[atom->map_style]);
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if (atom->molecular > 0) {
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const char *msg;
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msg = (atom->molecular == 2) ? "template" : "standard";
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fprintf(out,"Molecule type = %s\n",msg);
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}
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fprintf(out,"Atoms = " BIGINT_FORMAT ", types = %d, style = %s\n",
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atom->natoms, atom->ntypes, force->pair_style);
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if (atom->molecular > 0) {
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const char *msg;
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msg = force->bond_style ? force->bond_style : "none";
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fprintf(out,"Bonds = " BIGINT_FORMAT ", types = %d, style = %s\n",
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atom->nbonds, atom->nbondtypes, msg);
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msg = force->angle_style ? force->angle_style : "none";
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fprintf(out,"Angles = " BIGINT_FORMAT ", types = %d, style = %s\n",
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atom->nangles, atom->nangletypes, msg);
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msg = force->dihedral_style ? force->dihedral_style : "none";
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fprintf(out,"Dihedrals = " BIGINT_FORMAT ", types = %d, style = %s\n",
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atom->ndihedrals, atom->ndihedraltypes, msg);
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msg = force->improper_style ? force->improper_style : "none";
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fprintf(out,"Impropers = " BIGINT_FORMAT ", types = %d, style = %s\n",
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atom->nimpropers, atom->nimpropertypes, msg);
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const double * const special_lj = force->special_lj;
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const double * const special_coul = force->special_coul;
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fprintf(out,"Special bond factors lj = %-10g %-10g %-10g\n"
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"Special bond factors coul = %-10g %-10g %-10g\n",
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special_lj[1],special_lj[2],special_lj[3],
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special_coul[1],special_coul[2],special_coul[3]);
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}
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fprintf(out,"Kspace style = %s\n",
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force->kspace ? force->kspace_style : "none");
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if (domain->box_exist) {
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fprintf(out,"\nDimensions = %d\n",domain->dimension);
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fprintf(out,"%s box = %g x %g x %g\n",
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domain->triclinic ? "Triclinic" : "Orthogonal",
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domain->xprd, domain->yprd, domain->zprd);
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fprintf(out,"Boundaries = %c,%c %c,%c %c,%c\n",
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bstyles[domain->boundary[0][0]],bstyles[domain->boundary[0][1]],
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bstyles[domain->boundary[1][0]],bstyles[domain->boundary[1][1]],
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bstyles[domain->boundary[2][0]],bstyles[domain->boundary[2][1]]);
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fprintf(out,"Xlo, zhi = %g, %g\n", domain->boxlo[0], domain->boxhi[0]);
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fprintf(out,"Ylo, zhi = %g, %g\n", domain->boxlo[1], domain->boxhi[1]);
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fprintf(out,"Zlo, zhi = %g, %g\n", domain->boxlo[2], domain->boxhi[2]);
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if (domain->triclinic)
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fprintf(out,"Xy, xz, yz = %g, %g, %g\n",
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domain->xy, domain->xz, domain->yz);
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} else {
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fputs("\nBox has not yet been created\n",out);
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}
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}
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if (flags & GROUPS) {
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int ngroup = group->ngroup;
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char **names = group->names;
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int *dynamic = group->dynamic;
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fprintf(out,"\nGroup information:\n");
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for (int i=0; i < ngroup; ++i) {
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fprintf(out,"Group[%2d]: %s (%s)\n",
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i, names[i], dynamic[i] ? "dynamic" : "static");
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}
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}
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if (flags & REGIONS) {
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int nreg = domain->nregion;
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Region **regs = domain->regions;
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fprintf(out,"\nRegion information:\n");
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for (int i=0; i < nreg; ++i) {
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fprintf(out,"Region[%3d]: %s, style = %s, side = %s\n",
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i, regs[i]->id, regs[i]->style,
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regs[i]->interior ? "in" : "out");
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}
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}
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if (flags & COMPUTES) {
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int ncompute = modify->ncompute;
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Compute **compute = modify->compute;
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char **names = group->names;
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fprintf(out,"\nCompute information:\n");
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for (int i=0; i < ncompute; ++i) {
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fprintf(out,"Compute[%3d]: %s, style = %s, group = %s\n",
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i, compute[i]->id, compute[i]->style,
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names[compute[i]->igroup]);
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}
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}
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if (flags & DUMPS) {
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int ndump = output->ndump;
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Dump **dump = output->dump;
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int *nevery = output->every_dump; \
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char **vnames = output->var_dump;
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char **names = group->names;
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fprintf(out,"\nDump information:\n");
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for (int i=0; i < ndump; ++i) {
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fprintf(out,"Dump[%3d]: %s, file = %s, style = %s, group = %s, ",
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i, dump[i]->id, dump[i]->filename,
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dump[i]->style, names[dump[i]->igroup]);
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if (nevery[i]) {
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fprintf(out,"every = %d\n", nevery[i]);
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} else {
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fprintf(out,"every = %s\n", vnames[i]);
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}
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}
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}
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if (flags & FIXES) {
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int nfix = modify->nfix;
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Fix **fix = modify->fix;
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char **names = group->names;
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fprintf(out,"\nFix information:\n");
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for (int i=0; i < nfix; ++i) {
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fprintf(out,"Fix[%3d]: %s, style = %s, group = %s\n",
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i, fix[i]->id, fix[i]->style, names[fix[i]->igroup]);
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}
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}
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if (flags & VARIABLES) {
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int nvar = input->variable->nvar;
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int *style = input->variable->style;
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char **names = input->variable->names;
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char ***data = input->variable->data;
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fprintf(out,"\nVariable information:\n");
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for (int i=0; i < nvar; ++i) {
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int ndata = 1;
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fprintf(out,"Variable[%3d]: %-10s style = %-10s def =",
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i,names[i],varstyles[style[i]]);
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if ((style[i] != LOOP) && (style[i] != ULOOP))
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ndata = input->variable->num[i];
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for (int j=0; j < ndata; ++j)
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fprintf(out," %s",data[i][j]);
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fputs("\n",out);
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}
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}
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if (flags & TIME) {
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double wallclock = MPI_Wtime() - lmp->initclock;
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double cpuclock = 0.0;
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#if defined(_WIN32)
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// from MSD docs.
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FILETIME ct,et,kt,ut;
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union { FILETIME ft; uint64_t ui; } cpu;
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if (GetProcessTimes(GetCurrentProcess(),&ct,&et,&kt,&ut)) {
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cpu.ft = ut;
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cpuclock = cpu.ui * 0.0000001;
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}
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#else /* POSIX */
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struct rusage ru;
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if (getrusage(RUSAGE_SELF, &ru) == 0) {
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cpuclock = (double) ru.ru_utime.tv_sec;
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cpuclock += (double) ru.ru_utime.tv_usec * 0.000001;
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}
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#endif /* ! _WIN32 */
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int cpuh,cpum,cpus,wallh,wallm,walls;
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cpus = fmod(cpuclock,60.0);
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cpuclock = (cpuclock - cpus) / 60.0;
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cpum = fmod(cpuclock,60.0);
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cpuh = (cpuclock - cpum) / 60.0;
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walls = fmod(wallclock,60.0);
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wallclock = (wallclock - walls) / 60.0;
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wallm = fmod(wallclock,60.0);
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wallh = (wallclock - wallm) / 60.0;
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fprintf(out,"\nTotal time information (MPI rank 0):\n"
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" CPU time: %4d:%02d:%02d\n"
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" Wall time: %4d:%02d:%02d\n",
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cpuh,cpum,cpus,wallh,wallm,walls);
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}
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|
|
fputs("\nInfo-Info-Info-Info-Info-Info-Info-Info-Info-Info-Info\n\n",out);
|
|
|
|
// close output file pointer if opened locally thus forcing a hard sync.
|
|
if ((out != screen) && (out != logfile))
|
|
fclose(out);
|
|
}
|
|
|
|
/* ---------------------------------------------------------------------- */
|
|
|
|
// the is_active() function returns true if the selected style or name
|
|
// in the selected category is currently in use.
|
|
|
|
bool Info::is_active(const char *category, const char *name)
|
|
{
|
|
if ((category == NULL) || (name == NULL)) return false;
|
|
const char *style = "none";
|
|
const int len = strlen(name);
|
|
|
|
if (strcmp(category,"package") == 0) {
|
|
if (strcmp(name,"cuda") == 0) {
|
|
return (lmp->cuda && lmp->cuda->cuda_exists) ? true : false;
|
|
} else if (strcmp(name,"gpu") == 0) {
|
|
return (modify->find_fix("package_gpu") >= 0) ? true : false;
|
|
} else if (strcmp(name,"intel") == 0) {
|
|
return (modify->find_fix("package_intel") >= 0) ? true : false;
|
|
} else if (strcmp(name,"kokkos") == 0) {
|
|
return (lmp->kokkos && lmp->kokkos->kokkos_exists) ? true : false;
|
|
} else if (strcmp(name,"omp") == 0) {
|
|
return (modify->find_fix("package_omp") >= 0) ? true : false;
|
|
} else error->all(FLERR,"Unknown name for package category");
|
|
|
|
} else if (strcmp(category,"newton") == 0) {
|
|
if (strcmp(name,"pair") == 0) return (force->newton_pair != 0);
|
|
else if (strcmp(name,"bond") == 0) return (force->newton_bond != 0);
|
|
else if (strcmp(name,"any") == 0) return (force->newton != 0);
|
|
else error->all(FLERR,"Unknown name for newton category");
|
|
|
|
} else if (strcmp(category,"pair") == 0) {
|
|
if (force->pair == NULL) return false;
|
|
if (strcmp(name,"single") == 0) return (force->pair->single_enable != 0);
|
|
else if (strcmp(name,"respa") == 0) return (force->pair->respa_enable != 0);
|
|
else if (strcmp(name,"manybody") == 0) return (force->pair->manybody_flag != 0);
|
|
else if (strcmp(name,"tail") == 0) return (force->pair->tail_flag != 0);
|
|
else if (strcmp(name,"shift") == 0) return (force->pair->offset_flag != 0);
|
|
else error->all(FLERR,"Unknown name for pair category");
|
|
|
|
} else if (strcmp(category,"comm_style") == 0) {
|
|
style = commstyles[comm->style];
|
|
} else if (strcmp(category,"min_style") == 0) {
|
|
style = update->minimize_style;
|
|
} else if (strcmp(category,"run_style") == 0) {
|
|
style = update->integrate_style;
|
|
} else if (strcmp(category,"atom_style") == 0) {
|
|
style = atom->atom_style;
|
|
} else if (strcmp(category,"pair_style") == 0) {
|
|
style = force->pair_style;
|
|
} else if (strcmp(category,"bond_style") == 0) {
|
|
style = force->bond_style;
|
|
} else if (strcmp(category,"angle_style") == 0) {
|
|
style = force->angle_style;
|
|
} else if (strcmp(category,"dihedral_style") == 0) {
|
|
style = force->dihedral_style;
|
|
} else if (strcmp(category,"improper_style") == 0) {
|
|
style = force->improper_style;
|
|
} else if (strcmp(category,"kspace_style") == 0) {
|
|
style = force->kspace_style;
|
|
} else error->all(FLERR,"Unknown category for is_active()");
|
|
|
|
int match = 0;
|
|
if (strcmp(style,name) == 0) match = 1;
|
|
|
|
if (!match && lmp->suffix_enable) {
|
|
if (lmp->suffix) {
|
|
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix)];
|
|
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix);
|
|
if (strcmp(style,name_w_suffix) == 0) match = 1;
|
|
delete[] name_w_suffix;
|
|
}
|
|
if (!match && lmp->suffix2) {
|
|
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix2)];
|
|
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix2);
|
|
if (strcmp(style,name_w_suffix) == 0) match = 1;
|
|
delete[] name_w_suffix;
|
|
}
|
|
}
|
|
return match ? true : false;
|
|
}
|
|
|
|
/* ---------------------------------------------------------------------- */
|
|
|
|
// the is_available() function returns true if the selected style
|
|
// or name in the selected category is available for use (but need
|
|
// not be currently active).
|
|
|
|
bool Info::is_available(const char *category, const char *name)
|
|
{
|
|
if ((category == NULL) || (name == NULL)) return false;
|
|
const int len = strlen(name);
|
|
int match = 0;
|
|
|
|
if (strcmp(category,"command") == 0) {
|
|
if (input->command_map->find(name) != input->command_map->end())
|
|
match = 1;
|
|
|
|
} else if (strcmp(category,"compute") == 0) {
|
|
if (modify->compute_map->find(name) != modify->compute_map->end())
|
|
match = 1;
|
|
|
|
if (!match && lmp->suffix_enable) {
|
|
if (lmp->suffix) {
|
|
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix)];
|
|
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix);
|
|
if (modify->compute_map->find(name_w_suffix) != modify->compute_map->end())
|
|
match = 1;
|
|
delete[] name_w_suffix;
|
|
}
|
|
if (!match && lmp->suffix2) {
|
|
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix2)];
|
|
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix2);
|
|
if (modify->compute_map->find(name_w_suffix) != modify->compute_map->end())
|
|
match = 1;
|
|
delete[] name_w_suffix;
|
|
}
|
|
}
|
|
} else if (strcmp(category,"fix") == 0) {
|
|
if (modify->fix_map->find(name) != modify->fix_map->end())
|
|
match = 1;
|
|
|
|
if (!match && lmp->suffix_enable) {
|
|
if (lmp->suffix) {
|
|
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix)];
|
|
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix);
|
|
if (modify->fix_map->find(name_w_suffix) != modify->fix_map->end())
|
|
match = 1;
|
|
delete[] name_w_suffix;
|
|
}
|
|
if (!match && lmp->suffix2) {
|
|
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix2)];
|
|
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix2);
|
|
if (modify->fix_map->find(name_w_suffix) != modify->fix_map->end())
|
|
match = 1;
|
|
delete[] name_w_suffix;
|
|
}
|
|
}
|
|
} else if (strcmp(category,"pair_style") == 0) {
|
|
if (force->pair_map->find(name) != force->pair_map->end())
|
|
match = 1;
|
|
|
|
if (!match && lmp->suffix_enable) {
|
|
if (lmp->suffix) {
|
|
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix)];
|
|
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix);
|
|
if (force->pair_map->find(name_w_suffix) != force->pair_map->end())
|
|
match = 1;
|
|
delete[] name_w_suffix;
|
|
}
|
|
if (!match && lmp->suffix2) {
|
|
char *name_w_suffix = new char [len + 2 + strlen(lmp->suffix2)];
|
|
sprintf(name_w_suffix,"%s/%s",name,lmp->suffix2);
|
|
if (force->pair_map->find(name_w_suffix) != force->pair_map->end())
|
|
match = 1;
|
|
delete[] name_w_suffix;
|
|
}
|
|
}
|
|
} else error->all(FLERR,"Unknown category for is_available()");
|
|
|
|
return match ? true : false;
|
|
}
|
|
|
|
/* ---------------------------------------------------------------------- */
|
|
|
|
// the is_defined() function returns true if a particular ID of the
|
|
// selected category (e.g. fix ID, group ID, region ID etc.) has been
|
|
// defined and thus can be accessed. It does *NOT* check whether a
|
|
// particular ID has a particular style.
|
|
|
|
bool Info::is_defined(const char *category, const char *name)
|
|
{
|
|
if ((category == NULL) || (name == NULL)) return false;
|
|
|
|
if (strcmp(category,"compute") == 0) {
|
|
int ncompute = modify->ncompute;
|
|
Compute **compute = modify->compute;
|
|
for (int i=0; i < ncompute; ++i) {
|
|
if (strcmp(compute[i]->id,name) == 0)
|
|
return true;
|
|
}
|
|
} else if (strcmp(category,"dump") == 0) {
|
|
int ndump = output->ndump;
|
|
Dump **dump = output->dump;
|
|
for (int i=0; i < ndump; ++i) {
|
|
if (strcmp(dump[i]->id,name) == 0)
|
|
return true;
|
|
}
|
|
} else if (strcmp(category,"fix") == 0) {
|
|
int nfix = modify->nfix;
|
|
Fix **fix = modify->fix;
|
|
for (int i=0; i < nfix; ++i) {
|
|
if (strcmp(fix[i]->id,name) == 0)
|
|
return true;
|
|
}
|
|
} else if (strcmp(category,"group") == 0) {
|
|
int ngroup = group->ngroup;
|
|
char **names = group->names;
|
|
for (int i=0; i < ngroup; ++i) {
|
|
if (strcmp(names[i],name) == 0)
|
|
return true;
|
|
}
|
|
} else if (strcmp(category,"region") == 0) {
|
|
int nreg = domain->nregion;
|
|
Region **regs = domain->regions;
|
|
for (int i=0; i < nreg; ++i) {
|
|
if (strcmp(regs[i]->id,name) == 0)
|
|
return true;
|
|
}
|
|
} else if (strcmp(category,"variable") == 0) {
|
|
int nvar = input->variable->nvar;
|
|
char **names = input->variable->names;
|
|
for (int i=0; i < nvar; ++i) {
|
|
if (strcmp(names[i],name) == 0)
|
|
return true;
|
|
}
|
|
} else error->all(FLERR,"Unknown category for is_defined()");
|
|
|
|
return false;
|
|
}
|