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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 "thread_mpi/threads.h"
61 #include "gromacs/legacyheaders/gmx_fatal.h"
62 #include "gromacs/legacyheaders/macros.h"
63 #include "gromacs/legacyheaders/network.h"
64 #include "gromacs/legacyheaders/smalloc.h"
65 #include "gromacs/legacyheaders/string2.h"
67 #include "gromacs/commandline/cmdlinehelpcontext.h"
68 #include "gromacs/commandline/cmdlinehelpwriter.h"
69 #include "gromacs/commandline/shellcompletions.h"
70 #include "gromacs/fileio/timecontrol.h"
71 #include "gromacs/options/basicoptions.h"
72 #include "gromacs/options/filenameoption.h"
73 #include "gromacs/options/options.h"
74 #include "gromacs/utility/arrayref.h"
75 #include "gromacs/utility/exceptions.h"
76 #include "gromacs/utility/gmxassert.h"
77 #include "gromacs/utility/stringutil.h"
79 /* The source code in this file should be thread-safe.
80 Please keep it that way. */
82 static void usage(const char *type, const char *arg)
84 GMX_ASSERT(arg != NULL, "NULL command-line argument should not occur");
85 gmx_fatal(FARGS, "Expected %s argument for option %s\n", type, arg);
88 /* Scan an int for argument argv[*i] from argument at argv[*i + 1].
89 * eg: -p 32. argv[*i] is only used for error reporting.
90 * If there is no value, or the conversion is not successful, the
91 * routine exits with an error, otherwise it returns the value found.
92 * *i is incremented once.
94 static int iscan(int argc, char *argv[], int *i)
96 const char *const arg = argv[*i];
99 usage("an integer", arg);
101 const char *const value = argv[++(*i)];
103 int var = std::strtol(value, &endptr, 10);
104 if (*value == '\0' || *endptr != '\0')
106 usage("an integer", arg);
111 /* Same as above, but for large integer values */
112 static gmx_int64_t istepscan(int argc, char *argv[], int *i)
114 const char *const arg = argv[*i];
117 usage("an integer", arg);
119 const char *const value = argv[++(*i)];
121 gmx_int64_t var = str_to_int64_t(value, &endptr);
122 if (*value == '\0' || *endptr != '\0')
124 usage("an integer", arg);
129 /* Routine similar to the above, but working on doubles. */
130 static double dscan(int argc, char *argv[], int *i)
132 const char *const arg = argv[*i];
135 usage("a real", arg);
137 const char *const value = argv[++(*i)];
139 double var = std::strtod(value, &endptr);
140 if (*value == '\0' || *endptr != '\0')
142 usage("a real", arg);
147 /* Routine similar to the above, but working on strings. The pointer
148 * returned is a pointer to the argv field.
150 static char *sscan(int argc, char *argv[], int *i)
154 if ( (argv[(*i)+1][0] == '-') && (argc > (*i)+2) &&
155 (argv[(*i)+2][0] != '-') )
157 fprintf(stderr, "Possible missing string argument for option %s\n\n",
163 usage("a string", argv[*i]);
169 gmx_bool is_hidden(t_pargs *pa)
171 return (strstr(pa->desc, "HIDDEN") != NULL);
174 int nenum(const char *const enumc[])
179 /* we *can* compare pointers directly here! */
180 while (enumc[i] && enumc[0] != enumc[i])
188 /* Read a number of arguments from the command line.
189 * For etINT, etREAL and etCHAR an extra argument is read (when present)
190 * for etBOOL the gmx_boolean option is changed to the negate value
192 static void get_pargs(int *argc, char *argv[], int nparg, t_pargs pa[])
199 snew(bKeep, *argc+1);
203 for (i = 1; (i < *argc); i++)
206 for (j = 0; (j < nparg); j++)
208 if (pa[j].type == etBOOL)
210 sprintf(buf, "-no%s", pa[j].option+1);
211 if (strcmp(pa[j].option, argv[i]) == 0)
217 else if (strcmp(buf, argv[i]) == 0)
224 else if (strcmp(pa[j].option, argv[i]) == 0)
228 fprintf(stderr, "Setting option %s more than once!\n",
236 *pa[j].u.i = iscan(*argc, argv, &i);
239 *pa[j].u.is = istepscan(*argc, argv, &i);
243 *pa[j].u.r = dscan(*argc, argv, &i);
246 *(pa[j].u.c) = sscan(*argc, argv, &i);
250 ptr = sscan(*argc, argv, &i);
251 for (k = 1; (pa[j].u.c[k] != NULL); k++)
253 /* only check ptr against beginning of
255 if (gmx_strncasecmp(ptr, pa[j].u.c[k], strlen(ptr)) == 0)
257 if ( ( match == -1 ) ||
258 ( strlen(pa[j].u.c[k]) <
259 strlen(pa[j].u.c[match]) ) )
267 pa[j].u.c[0] = pa[j].u.c[match];
271 gmx_fatal(FARGS, "Invalid argument %s for option %s",
276 (*pa[j].u.rv)[0] = dscan(*argc, argv, &i);
277 if ( (i+1 == *argc) ||
278 ( (argv[i+1][0] == '-') &&
279 !isdigit(argv[i+1][1]) ) )
288 (*pa[j].u.rv)[1] = dscan(*argc, argv, &i);
289 if ( (i+1 == *argc) ||
290 ( (argv[i+1][0] == '-') &&
291 !isdigit(argv[i+1][1]) ) )
294 "%s: vector must have 1 or 3 real parameters",
298 (*pa[j].u.rv)[2] = dscan(*argc, argv, &i);
302 gmx_fatal(FARGS, "Invalid type %d in pargs", pa[j].type);
304 /* i may be incremented, so set it to not keep */
310 /* Remove used entries */
311 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));
502 * Converts a t_filenm option into an Options option.
504 * \param options Options object to add the new option to.
505 * \param[in] fnm t_filenm option to convert.
507 * \ingroup module_commandline
509 void filenmToOptions(Options *options, const t_filenm *fnm)
511 const bool bRead = ((fnm->flag & ffREAD) != 0);
512 const bool bWrite = ((fnm->flag & ffWRITE) != 0);
513 const bool bOptional = ((fnm->flag & ffOPT) != 0);
514 const bool bLibrary = ((fnm->flag & ffLIB) != 0);
515 const bool bMultiple = ((fnm->flag & ffMULT) != 0);
516 const char *const name = &fnm->opt[1];
517 const char * defName = fnm->fn;
520 defName = ftp2defnm(fnm->ftp);
522 // Since we are not (yet) using this for actual parsing, we don't need to
525 FileNameOption(name).defaultBasename(defName).legacyType(fnm->ftp)
526 .readWriteFlags(bRead, bWrite).required(!bOptional)
527 .libraryFile(bLibrary).multiValue(bMultiple)
528 .description(ftp2desc(fnm->ftp)));
532 * Converts a t_pargs option into an Options option.
534 * \param options Options object to add the new option to.
535 * \param[in] pa t_pargs option to convert.
537 * \ingroup module_commandline
539 void pargsToOptions(Options *options, t_pargs *pa)
541 const bool bHidden = is_hidden(pa);
542 const char *const name = &pa->option[1];
543 const char *const desc = (bHidden ? &pa->desc[6] : pa->desc);
544 // Since we are not (yet) using this for actual parsing, we can take some
545 // shortcuts and not set any storage where there is no direct
546 // correspondence in the types.
551 IntegerOption(name).store(pa->u.i)
552 .description(desc).hidden(bHidden));
556 Int64Option(name).store(pa->u.is)
557 .description(desc).hidden(bHidden));
561 RealOption(name).store(pa->u.r)
562 .description(desc).hidden(bHidden));
566 RealOption(name).store(pa->u.r).timeValue()
567 .description(desc).hidden(bHidden));
571 const char *const defValue = (*pa->u.c != NULL ? *pa->u.c : "");
573 StringOption(name).defaultValue(defValue)
574 .description(desc).hidden(bHidden));
579 BooleanOption(name).defaultValue(*pa->u.b)
580 .description(desc).hidden(bHidden));
584 RealOption(name).store(*pa->u.rv).vector()
585 .description(desc).hidden(bHidden));
589 StringOption(name).defaultEnumIndex(nenum(pa->u.c) - 1)
590 .enumValueFromNullTerminatedArray(pa->u.c + 1)
591 .description(desc).hidden(bHidden));
594 GMX_THROW(NotImplementedError("Argument type not implemented"));
601 gmx_bool parse_common_args(int *argc, char *argv[], unsigned long Flags,
602 int nfile, t_filenm fnm[], int npargs, t_pargs *pa,
603 int ndesc, const char **desc,
604 int nbugs, const char **bugs,
607 /* This array should match the order of the enum in oenv.h */
608 const char *xvg_format[] = { NULL, "xmgrace", "xmgr", "none", NULL };
609 /* This array should match the order of the enum in oenv.h */
610 const char *time_units[] = {
611 NULL, "fs", "ps", "ns", "us", "ms", "s",
614 int nicelevel = 0, debug_level = 0;
616 real tbegin = 0, tend = 0, tdelta = 0;
617 gmx_bool bView = FALSE;
619 t_pargs *all_pa = NULL;
624 "-npri", FALSE, etINT, {&npri},
625 "HIDDEN Set non blocking priority (try 128)"
629 "-nice", FALSE, etINT, {&nicelevel},
632 t_pargs deffnm_pa = {
633 "-deffnm", FALSE, etSTR, {&deffnm},
634 "Set the default filename for all file options"
637 "-b", FALSE, etTIME, {&tbegin},
638 "First frame (%t) to read from trajectory"
641 "-e", FALSE, etTIME, {&tend},
642 "Last frame (%t) to read from trajectory"
645 "-dt", FALSE, etTIME, {&tdelta},
646 "Only use frame when t MOD dt = first time (%t)"
649 "-w", FALSE, etBOOL, {&bView},
650 "View output [TT].xvg[tt], [TT].xpm[tt], [TT].eps[tt] and [TT].pdb[tt] files"
653 "-xvg", FALSE, etENUM, {xvg_format},
654 "xvg plot formatting"
657 "-tu", FALSE, etENUM, {time_units},
660 /* Maximum number of extra arguments */
664 { "-debug", FALSE, etINT, {&debug_level},
665 "HIDDENWrite file with debug information, 1: short, 2: also x and f" },
667 #define NPCA_PA asize(pca_pa)
669 int i, j, k, npall, max_pa;
671 // Handle the flags argument, which is a bit field
672 // The FF macro returns whether or not the bit is set
673 #define FF(arg) ((Flags & arg) == arg)
675 /* Check for double arguments */
676 for (i = 1; (i < *argc); i++)
678 if (argv[i] && (strlen(argv[i]) > 1) && (!std::isdigit(argv[i][1])))
680 for (j = i+1; (j < *argc); j++)
682 if ( (argv[i][0] == '-') && (argv[j][0] == '-') &&
683 (strcmp(argv[i], argv[j]) == 0) )
685 if (FF(PCA_NOEXIT_ON_ARGS))
687 fprintf(stderr, "Double command line argument %s\n",
692 gmx_fatal(FARGS, "Double command line argument %s\n",
701 /* Check ALL the flags ... */
702 max_pa = NPCA_PA + EXTRA_PA + npargs+1;
703 snew(all_pa, max_pa);
705 for (i = npall = 0; (i < static_cast<int>(NPCA_PA)); i++)
707 npall = add_parg(npall, all_pa, &(pca_pa[i]));
711 const char *envstr = getenv("GMXNPRIALL");
714 npri = strtol(envstr, NULL, 10);
718 envstr = getenv("GMXNPRI");
721 npri = strtol(envstr, NULL, 10);
724 npall = add_parg(npall, all_pa, &npri_pa);
731 npall = add_parg(npall, all_pa, &nice_pa);
733 if (FF(PCA_CAN_SET_DEFFNM))
735 npall = add_parg(npall, all_pa, &deffnm_pa);
737 if (FF(PCA_CAN_BEGIN))
739 npall = add_parg(npall, all_pa, &begin_pa);
743 npall = add_parg(npall, all_pa, &end_pa);
747 npall = add_parg(npall, all_pa, &dt_pa);
749 if (FF(PCA_TIME_UNIT))
751 npall = add_parg(npall, all_pa, &time_pa);
753 if (FF(PCA_CAN_VIEW))
755 npall = add_parg(npall, all_pa, &view_pa);
759 for (i = 0; (i < nfile); i++)
761 bXvgr = bXvgr || (fnm[i].ftp == efXVG);
765 npall = add_parg(npall, all_pa, &xvg_pa);
768 /* Now append the program specific arguments */
769 for (i = 0; (i < npargs); i++)
771 npall = add_parg(npall, all_pa, &(pa[i]));
774 /* set etENUM options to default */
775 for (i = 0; (i < npall); i++)
777 if (all_pa[i].type == etENUM)
779 all_pa[i].u.c[0] = all_pa[i].u.c[1];
782 set_default_time_unit(time_units, FF(PCA_TIME_UNIT));
783 set_default_xvg_format(xvg_format);
785 /* Now parse all the command-line options */
786 get_pargs(argc, argv, npall, all_pa);
788 /* set program name, command line, and default values for output options */
789 output_env_init(oenv, *argc, argv, (time_unit_t)nenum(time_units), bView,
790 (xvg_format_t)nenum(xvg_format), 0, debug_level);
792 /* Parse the file args */
793 parse_file_args(argc, argv, nfile, fnm, deffnm, !FF(PCA_NOT_READ_NODE));
795 /* Open the debug file */
800 if (gmx_mpi_initialized())
802 sprintf(buf, "%s%d.debug", output_env_get_short_program_name(*oenv),
807 sprintf(buf, "%s.debug", output_env_get_short_program_name(*oenv));
810 init_debug(debug_level, buf);
811 fprintf(stderr, "Opening debug file %s (src code file %s, line %d)\n",
812 buf, __FILE__, __LINE__);
815 /* Now copy the results back... */
816 for (i = 0, k = npall-npargs; (i < npargs); i++, k++)
818 memcpy(&(pa[i]), &(all_pa[k]), (size_t)sizeof(pa[i]));
821 #if (defined __sgi && USE_SGI_FPE)
828 const gmx::CommandLineHelpContext *context =
829 gmx::GlobalCommandLineHelpContext::get();
830 bExit = (context != NULL);
831 if (context != NULL && !(FF(PCA_QUIET)))
833 gmx::Options options(NULL, NULL);
834 options.setDescription(gmx::ConstArrayRef<const char *>(desc, ndesc));
835 for (i = 0; i < nfile; i++)
837 gmx::filenmToOptions(&options, &fnm[i]);
839 for (i = 0; i < npall; i++)
841 gmx::pargsToOptions(&options, &all_pa[i]);
843 gmx::CommandLineHelpWriter(options)
844 .setShowDescriptions(true)
845 .setTimeUnitString(output_env_get_time_unit(*oenv))
846 .setKnownIssues(gmx::ConstArrayRef<const char *>(bugs, nbugs))
847 .writeHelp(*context);
850 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
852 /* Set the nice level */
854 if (npri != 0 && !bExit)
856 schedctl(MPTS_RTPRI, 0, npri);
862 /* The some system, e.g. the catamount kernel on cray xt3 do not have nice(2). */
863 if (nicelevel != 0 && !bExit)
865 static gmx_bool nice_set = FALSE; /* only set it once */
866 static tMPI_Thread_mutex_t init_mutex = TMPI_THREAD_MUTEX_INITIALIZER;
867 tMPI_Thread_mutex_lock(&init_mutex);
870 if (nice(nicelevel) == -1)
872 /* Do nothing, but use the return value to avoid warnings. */
876 tMPI_Thread_mutex_unlock(&init_mutex);
881 /* convert time options, must be done after printing! */
883 for (i = 0; i < npall; i++)
885 if (all_pa[i].type == etTIME && all_pa[i].bSet)
887 *all_pa[i].u.r *= output_env_get_time_invfactor(*oenv);
891 /* Extract Time info from arguments */
892 if (FF(PCA_CAN_BEGIN) && opt2parg_bSet("-b", npall, all_pa))
894 setTimeValue(TBEGIN, opt2parg_real("-b", npall, all_pa));
897 if (FF(PCA_CAN_END) && opt2parg_bSet("-e", npall, all_pa))
899 setTimeValue(TEND, opt2parg_real("-e", npall, all_pa));
902 if (FF(PCA_CAN_DT) && opt2parg_bSet("-dt", npall, all_pa))
904 setTimeValue(TDELTA, opt2parg_real("-dt", npall, all_pa));
910 if (!FF(PCA_NOEXIT_ON_ARGS))