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37 /* This file is completely threadsafe - keep it that way! */
38 #include "gromacs/commandline/pargs.h"
55 #include <sys/schedctl.h>
56 #include <sys/sysmp.h>
59 #include "gromacs/legacyheaders/gmx_fatal.h"
60 #include "gromacs/legacyheaders/macros.h"
61 #include "gromacs/legacyheaders/network.h"
62 #include "gromacs/legacyheaders/smalloc.h"
63 #include "gromacs/legacyheaders/string2.h"
64 #include "gromacs/legacyheaders/thread_mpi/threads.h"
66 #include "gromacs/commandline/cmdlinehelpcontext.h"
67 #include "gromacs/commandline/shellcompletions.h"
68 #include "gromacs/commandline/wman.h"
69 #include "gromacs/fileio/timecontrol.h"
70 #include "gromacs/utility/exceptions.h"
71 #include "gromacs/utility/gmxassert.h"
74 /* The source code in this file should be thread-safe.
75 Please keep it that way. */
77 static void usage(const char *type, const char *arg)
79 GMX_ASSERT(arg != NULL, "NULL command-line argument should not occur");
80 gmx_fatal(FARGS, "Expected %s argument for option %s\n", type, arg);
83 /* Scan an int for argument argv[*i] from argument at argv[*i + 1].
84 * eg: -p 32. argv[*i] is only used for error reporting.
85 * If there is no value, or the conversion is not successful, the
86 * routine exits with an error, otherwise it returns the value found.
87 * *i is incremented once.
89 static int iscan(int argc, char *argv[], int *i)
91 const char *const arg = argv[*i];
94 usage("an integer", arg);
96 const char *const value = argv[++(*i)];
98 int var = std::strtol(value, &endptr, 10);
99 if (*value == '\0' || *endptr != '\0')
101 usage("an integer", arg);
106 /* Same as above, but for large integer values */
107 static gmx_int64_t istepscan(int argc, char *argv[], int *i)
109 const char *const arg = argv[*i];
112 usage("an integer", arg);
114 const char *const value = argv[++(*i)];
116 gmx_int64_t var = str_to_int64_t(value, &endptr);
117 if (*value == '\0' || *endptr != '\0')
119 usage("an integer", arg);
124 /* Routine similar to the above, but working on doubles. */
125 static double dscan(int argc, char *argv[], int *i)
127 const char *const arg = argv[*i];
130 usage("a real", arg);
132 const char *const value = argv[++(*i)];
134 double var = std::strtod(value, &endptr);
135 if (*value == '\0' || *endptr != '\0')
137 usage("a real", arg);
142 /* Routine similar to the above, but working on strings. The pointer
143 * returned is a pointer to the argv field.
145 static char *sscan(int argc, char *argv[], int *i)
149 if ( (argv[(*i)+1][0] == '-') && (argc > (*i)+2) &&
150 (argv[(*i)+2][0] != '-') )
152 fprintf(stderr, "Possible missing string argument for option %s\n\n",
158 usage("a string", argv[*i]);
164 gmx_bool is_hidden(t_pargs *pa)
166 return ((strstr(pa->desc, "HIDDEN") != NULL) ||
167 (strstr(pa->desc, "[hidden]") != NULL));
170 int nenum(const char *const enumc[])
175 /* we *can* compare pointers directly here! */
176 while (enumc[i] && enumc[0] != enumc[i])
184 /* Read a number of arguments from the command line.
185 * For etINT, etREAL and etCHAR an extra argument is read (when present)
186 * for etBOOL the gmx_boolean option is changed to the negate value
187 * If !bKeepArgs, the command line arguments are removed from the command line
189 static void get_pargs(int *argc, char *argv[], int nparg, t_pargs pa[],
197 snew(bKeep, *argc+1);
201 for (i = 1; (i < *argc); i++)
204 for (j = 0; (j < nparg); j++)
206 if (pa[j].type == etBOOL)
208 sprintf(buf, "-no%s", pa[j].option+1);
209 if (strcmp(pa[j].option, argv[i]) == 0)
215 else if (strcmp(buf, argv[i]) == 0)
222 else if (strcmp(pa[j].option, argv[i]) == 0)
226 fprintf(stderr, "Setting option %s more than once!\n",
234 *pa[j].u.i = iscan(*argc, argv, &i);
237 *pa[j].u.is = istepscan(*argc, argv, &i);
241 *pa[j].u.r = dscan(*argc, argv, &i);
244 *(pa[j].u.c) = sscan(*argc, argv, &i);
248 ptr = sscan(*argc, argv, &i);
249 for (k = 1; (pa[j].u.c[k] != NULL); k++)
251 /* only check ptr against beginning of
253 if (gmx_strncasecmp(ptr, pa[j].u.c[k], strlen(ptr)) == 0)
255 if ( ( match == -1 ) ||
256 ( strlen(pa[j].u.c[k]) <
257 strlen(pa[j].u.c[match]) ) )
265 pa[j].u.c[0] = pa[j].u.c[match];
269 gmx_fatal(FARGS, "Invalid argument %s for option %s",
274 (*pa[j].u.rv)[0] = dscan(*argc, argv, &i);
275 if ( (i+1 == *argc) ||
276 ( (argv[i+1][0] == '-') &&
277 !isdigit(argv[i+1][1]) ) )
286 (*pa[j].u.rv)[1] = dscan(*argc, argv, &i);
287 if ( (i+1 == *argc) ||
288 ( (argv[i+1][0] == '-') &&
289 !isdigit(argv[i+1][1]) ) )
292 "%s: vector must have 1 or 3 real parameters",
296 (*pa[j].u.rv)[2] = dscan(*argc, argv, &i);
300 gmx_fatal(FARGS, "Invalid type %d in pargs", pa[j].type);
302 /* i may be incremented, so set it to not keep */
309 /* Remove used entries */
310 for (i = j = 0; (i <= *argc); i++)
322 int opt2parg_int(const char *option, int nparg, t_pargs pa[])
326 for (i = 0; (i < nparg); i++)
328 if (strcmp(pa[i].option, option) == 0)
334 gmx_fatal(FARGS, "No integer option %s in pargs", option);
339 gmx_bool opt2parg_gmx_bool(const char *option, int nparg, t_pargs pa[])
343 for (i = 0; (i < nparg); i++)
345 if (strcmp(pa[i].option, option) == 0)
351 gmx_fatal(FARGS, "No boolean option %s in pargs", option);
356 real opt2parg_real(const char *option, int nparg, t_pargs pa[])
360 for (i = 0; (i < nparg); i++)
362 if (strcmp(pa[i].option, option) == 0)
368 gmx_fatal(FARGS, "No real option %s in pargs", option);
373 const char *opt2parg_str(const char *option, int nparg, t_pargs pa[])
377 for (i = 0; (i < nparg); i++)
379 if (strcmp(pa[i].option, option) == 0)
385 gmx_fatal(FARGS, "No string option %s in pargs", option);
390 gmx_bool opt2parg_bSet(const char *option, int nparg, t_pargs pa[])
394 for (i = 0; (i < nparg); i++)
396 if (strcmp(pa[i].option, option) == 0)
402 gmx_fatal(FARGS, "No such option %s in pargs", option);
404 return FALSE; /* Too make some compilers happy */
407 const char *opt2parg_enum(const char *option, int nparg, t_pargs pa[])
411 for (i = 0; (i < nparg); i++)
413 if (strcmp(pa[i].option, option) == 0)
419 gmx_fatal(FARGS, "No such option %s in pargs", option);
424 /********************************************************************
425 * parse_common_args()
428 static void set_default_time_unit(const char *time_list[], gmx_bool bCanTime)
431 const char *select = NULL;
435 select = getenv("GMXTIMEUNIT");
439 while (time_list[i] && strcmp(time_list[i], select) != 0)
445 if (!bCanTime || select == NULL ||
446 time_list[i] == NULL || strcmp(time_list[i], select) != 0)
448 /* Set it to the default: ps */
450 while (time_list[i] && strcmp(time_list[i], "ps") != 0)
456 time_list[0] = time_list[i];
459 static void set_default_xvg_format(const char *xvg_list[])
464 select = getenv("GMX_VIEW_XVG");
467 /* The default is the first option */
468 xvg_list[0] = xvg_list[1];
473 while (xvg_list[i] && strcmp(xvg_list[i], select) != 0)
477 if (xvg_list[i] != NULL)
479 xvg_list[0] = xvg_list[i];
483 xvg_list[0] = xvg_list[exvgNONE];
488 static int add_parg(int npargs, t_pargs *pa, t_pargs *pa_add)
490 memcpy(&(pa[npargs]), pa_add, sizeof(*pa_add));
495 static char *mk_desc(t_pargs *pa, const char *time_unit_str)
497 char *newdesc = NULL, *ndesc = NULL, *nptr = NULL;
498 const char*ptr = NULL;
501 /* First compute length for description */
502 len = strlen(pa->desc)+1;
503 if ((ptr = strstr(pa->desc, "HIDDEN")) != NULL)
507 if (pa->type == etENUM)
510 for (k = 1; (pa->u.c[k] != NULL); k++)
512 len += strlen(pa->u.c[k])+12;
517 /* add label for hidden options */
520 sprintf(newdesc, "[hidden] %s", ptr+6);
524 strcpy(newdesc, pa->desc);
527 /* change '%t' into time_unit */
528 #define TUNITLABEL "%t"
529 #define NTUNIT strlen(TUNITLABEL)
530 if (pa->type == etTIME)
532 while ( (nptr = strstr(newdesc, TUNITLABEL)) != NULL)
536 len += strlen(time_unit_str)-NTUNIT;
538 strcpy(ndesc, newdesc);
539 strcat(ndesc, time_unit_str);
549 /* Add extra comment for enumerateds */
550 if (pa->type == etENUM)
552 strcat(newdesc, ": ");
553 for (k = 1; (pa->u.c[k] != NULL); k++)
555 strcat(newdesc, "[TT]");
556 strcat(newdesc, pa->u.c[k]);
557 strcat(newdesc, "[tt]");
558 /* Print a comma everywhere but at the last one */
559 if (pa->u.c[k+1] != NULL)
561 if (pa->u.c[k+2] == NULL)
563 strcat(newdesc, " or ");
567 strcat(newdesc, ", ");
576 gmx_bool parse_common_args(int *argc, char *argv[], unsigned long Flags,
577 int nfile, t_filenm fnm[], int npargs, t_pargs *pa,
578 int ndesc, const char **desc,
579 int nbugs, const char **bugs,
582 const char *manstr[] = {
583 NULL, "no", "completion", NULL
585 /* This array should match the order of the enum in oenv.h */
586 const char *xvg_format[] = { NULL, "xmgrace", "xmgr", "none", NULL };
587 /* This array should match the order of the enum in oenv.h */
588 const char *time_units[] = {
589 NULL, "fs", "ps", "ns", "us", "ms", "s",
592 int nicelevel = 0, debug_level = 0;
594 real tbegin = 0, tend = 0, tdelta = 0;
595 gmx_bool bView = FALSE;
597 t_pargs *all_pa = NULL;
602 "-npri", FALSE, etINT, {&npri},
603 "HIDDEN Set non blocking priority (try 128)"
607 "-nice", FALSE, etINT, {&nicelevel},
610 t_pargs deffnm_pa = {
611 "-deffnm", FALSE, etSTR, {&deffnm},
612 "Set the default filename for all file options"
615 "-b", FALSE, etTIME, {&tbegin},
616 "First frame (%t) to read from trajectory"
619 "-e", FALSE, etTIME, {&tend},
620 "Last frame (%t) to read from trajectory"
623 "-dt", FALSE, etTIME, {&tdelta},
624 "Only use frame when t MOD dt = first time (%t)"
627 "-w", FALSE, etBOOL, {&bView},
628 "View output [TT].xvg[tt], [TT].xpm[tt], [TT].eps[tt] and [TT].pdb[tt] files"
631 "-xvg", FALSE, etENUM, {xvg_format},
632 "xvg plot formatting"
635 "-tu", FALSE, etENUM, {time_units},
638 /* Maximum number of extra arguments */
642 { "-man", FALSE, etENUM, {manstr},
643 "HIDDENWrite manual and quit" },
644 { "-debug", FALSE, etINT, {&debug_level},
645 "HIDDENWrite file with debug information, 1: short, 2: also x and f" },
647 #define NPCA_PA asize(pca_pa)
649 int i, j, k, npall, max_pa;
651 // Handle the flags argument, which is a bit field
652 // The FF macro returns whether or not the bit is set
653 #define FF(arg) ((Flags & arg) == arg)
655 /* Check for double arguments */
656 for (i = 1; (i < *argc); i++)
658 if (argv[i] && (strlen(argv[i]) > 1) && (!std::isdigit(argv[i][1])))
660 for (j = i+1; (j < *argc); j++)
662 if ( (argv[i][0] == '-') && (argv[j][0] == '-') &&
663 (strcmp(argv[i], argv[j]) == 0) )
665 if (FF(PCA_NOEXIT_ON_ARGS))
667 fprintf(stderr, "Double command line argument %s\n",
672 gmx_fatal(FARGS, "Double command line argument %s\n",
681 /* Check ALL the flags ... */
682 max_pa = NPCA_PA + EXTRA_PA + npargs+1;
683 snew(all_pa, max_pa);
685 for (i = npall = 0; (i < static_cast<int>(NPCA_PA)); i++)
687 npall = add_parg(npall, all_pa, &(pca_pa[i]));
691 const char *envstr = getenv("GMXNPRIALL");
694 npri = strtol(envstr, NULL, 10);
698 envstr = getenv("GMXNPRI");
701 npri = strtol(envstr, NULL, 10);
704 npall = add_parg(npall, all_pa, &npri_pa);
711 npall = add_parg(npall, all_pa, &nice_pa);
713 if (FF(PCA_CAN_SET_DEFFNM))
715 npall = add_parg(npall, all_pa, &deffnm_pa);
717 if (FF(PCA_CAN_BEGIN))
719 npall = add_parg(npall, all_pa, &begin_pa);
723 npall = add_parg(npall, all_pa, &end_pa);
727 npall = add_parg(npall, all_pa, &dt_pa);
729 if (FF(PCA_TIME_UNIT))
731 npall = add_parg(npall, all_pa, &time_pa);
733 if (FF(PCA_CAN_VIEW))
735 npall = add_parg(npall, all_pa, &view_pa);
739 for (i = 0; (i < nfile); i++)
741 bXvgr = bXvgr || (fnm[i].ftp == efXVG);
745 npall = add_parg(npall, all_pa, &xvg_pa);
748 /* Now append the program specific arguments */
749 for (i = 0; (i < npargs); i++)
751 npall = add_parg(npall, all_pa, &(pa[i]));
754 /* set etENUM options to default */
755 for (i = 0; (i < npall); i++)
757 if (all_pa[i].type == etENUM)
759 all_pa[i].u.c[0] = all_pa[i].u.c[1];
762 set_default_time_unit(time_units, FF(PCA_TIME_UNIT));
763 set_default_xvg_format(xvg_format);
765 /* Now parse all the command-line options */
766 get_pargs(argc, argv, npall, all_pa, FF(PCA_KEEP_ARGS));
768 /* set program name, command line, and default values for output options */
769 output_env_init(oenv, *argc, argv, (time_unit_t)nenum(time_units), bView,
770 (xvg_format_t)nenum(xvg_format), 0, debug_level);
772 /* Parse the file args */
773 parse_file_args(argc, argv, nfile, fnm, deffnm,
774 FF(PCA_KEEP_ARGS), !FF(PCA_NOT_READ_NODE));
776 /* Open the debug file */
781 if (gmx_mpi_initialized())
783 sprintf(buf, "%s%d.debug", output_env_get_short_program_name(*oenv),
788 sprintf(buf, "%s.debug", output_env_get_short_program_name(*oenv));
791 init_debug(debug_level, buf);
792 fprintf(stderr, "Opening debug file %s (src code file %s, line %d)\n",
793 buf, __FILE__, __LINE__);
796 /* Now copy the results back... */
797 for (i = 0, k = npall-npargs; (i < npargs); i++, k++)
799 memcpy(&(pa[i]), &(all_pa[k]), (size_t)sizeof(pa[i]));
803 for (i = 0; (i < npall); i++)
805 all_pa[i].desc = mk_desc(&(all_pa[i]), output_env_get_time_unit(*oenv));
808 #if (defined __sgi && USE_SGI_FPE)
815 const gmx::CommandLineHelpContext *context =
816 gmx::GlobalCommandLineHelpContext::get();
817 bExit = (context != NULL || strcmp(manstr[0], "no") != 0);
818 if (!(FF(PCA_QUIET)))
822 write_man(*context, ndesc, desc, nfile, fnm, npall, all_pa, nbugs, bugs);
824 else if (!strcmp(manstr[0], "completion"))
826 const char *program = output_env_get_short_program_name(*oenv);
827 /* one file each for csh, bash and zsh if we do completions */
828 write_completions("completion-zsh", program, nfile, fnm, npall, all_pa);
829 write_completions("completion-bash", program, nfile, fnm, npall, all_pa);
830 write_completions("completion-csh", program, nfile, fnm, npall, all_pa);
834 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
836 /* Set the nice level */
838 if (npri != 0 && !bExit)
840 schedctl(MPTS_RTPRI, 0, npri);
846 /* The some system, e.g. the catamount kernel on cray xt3 do not have nice(2). */
847 if (nicelevel != 0 && !bExit)
849 static gmx_bool nice_set = FALSE; /* only set it once */
850 static tMPI_Thread_mutex_t init_mutex = TMPI_THREAD_MUTEX_INITIALIZER;
851 tMPI_Thread_mutex_lock(&init_mutex);
854 if (nice(nicelevel) == -1)
856 /* Do nothing, but use the return value to avoid warnings. */
860 tMPI_Thread_mutex_unlock(&init_mutex);
865 /* convert time options, must be done after printing! */
867 for (i = 0; i < npall; i++)
869 if ((all_pa[i].type == etTIME) && (*all_pa[i].u.r >= 0))
871 *all_pa[i].u.r *= output_env_get_time_invfactor(*oenv);
875 /* Extract Time info from arguments */
876 if (FF(PCA_CAN_BEGIN) && opt2parg_bSet("-b", npall, all_pa))
878 setTimeValue(TBEGIN, opt2parg_real("-b", npall, all_pa));
881 if (FF(PCA_CAN_END) && opt2parg_bSet("-e", npall, all_pa))
883 setTimeValue(TEND, opt2parg_real("-e", npall, all_pa));
886 if (FF(PCA_CAN_DT) && opt2parg_bSet("-dt", npall, all_pa))
888 setTimeValue(TDELTA, opt2parg_real("-dt", npall, all_pa));
892 for (i = 0; i < npall; ++i)
894 sfree((void *)all_pa[i].desc);
898 if (!FF(PCA_NOEXIT_ON_ARGS))