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47 #include "gromacs/commandline/cmdlinehelpcontext.h"
48 #include "gromacs/commandline/cmdlinehelpwriter.h"
49 #include "gromacs/commandline/cmdlineparser.h"
50 #include "gromacs/fileio/oenv.h"
51 #include "gromacs/fileio/timecontrol.h"
52 #include "gromacs/options/basicoptions.h"
53 #include "gromacs/options/behaviorcollection.h"
54 #include "gromacs/options/filenameoption.h"
55 #include "gromacs/options/filenameoptionmanager.h"
56 #include "gromacs/options/options.h"
57 #include "gromacs/options/timeunitmanager.h"
58 #include "gromacs/utility/arrayref.h"
59 #include "gromacs/utility/basenetwork.h"
60 #include "gromacs/utility/classhelpers.h"
61 #include "gromacs/utility/exceptions.h"
62 #include "gromacs/utility/fatalerror.h"
63 #include "gromacs/utility/gmxassert.h"
64 #include "gromacs/utility/path.h"
65 #include "gromacs/utility/programcontext.h"
66 #include "gromacs/utility/stringutil.h"
68 /* The source code in this file should be thread-safe.
69 Please keep it that way. */
71 int nenum(const char* const enumc[])
76 /* we *can* compare pointers directly here! */
77 while (enumc[i] && enumc[0] != enumc[i])
85 int opt2parg_int(const char* option, int nparg, t_pargs pa[])
89 for (i = 0; (i < nparg); i++)
91 if (strcmp(pa[i].option, option) == 0)
97 gmx_fatal(FARGS, "No integer option %s in pargs", option);
100 gmx_bool opt2parg_bool(const char* option, int nparg, t_pargs pa[])
104 for (i = 0; (i < nparg); i++)
106 if (strcmp(pa[i].option, option) == 0)
112 gmx_fatal(FARGS, "No boolean option %s in pargs", option);
117 real opt2parg_real(const char* option, int nparg, t_pargs pa[])
121 for (i = 0; (i < nparg); i++)
123 if (strcmp(pa[i].option, option) == 0)
129 gmx_fatal(FARGS, "No real option %s in pargs", option);
132 const char* opt2parg_str(const char* option, int nparg, t_pargs pa[])
136 for (i = 0; (i < nparg); i++)
138 if (strcmp(pa[i].option, option) == 0)
144 gmx_fatal(FARGS, "No string option %s in pargs", option);
147 gmx_bool opt2parg_bSet(const char* option, int nparg, const t_pargs* pa)
151 for (i = 0; (i < nparg); i++)
153 if (strcmp(pa[i].option, option) == 0)
159 gmx_fatal(FARGS, "No such option %s in pargs", option);
161 return FALSE; /* Too make some compilers happy */
164 const char* opt2parg_enum(const char* option, int nparg, t_pargs pa[])
168 for (i = 0; (i < nparg); i++)
170 if (strcmp(pa[i].option, option) == 0)
176 gmx_fatal(FARGS, "No such option %s in pargs", option);
179 /********************************************************************
180 * parse_common_args()
190 * Returns the index of the default xvg format.
192 * \ingroup module_commandline
194 int getDefaultXvgFormat(gmx::ArrayRef<const char* const> xvgFormats)
196 const char* const select = getenv("GMX_VIEW_XVG");
197 if (select != nullptr)
199 ArrayRef<const char* const>::const_iterator i =
200 std::find(xvgFormats.begin(), xvgFormats.end(), std::string(select));
201 if (i != xvgFormats.end())
203 return std::distance(xvgFormats.begin(), i);
210 /* The default is the first option */
215 * Conversion helper between t_pargs/t_filenm and Options.
217 * This class holds the necessary mapping between the old C structures and
218 * the new C++ options to allow copying values back after parsing for cases
219 * where the C++ options do not directly provide the type of value required for
222 * \ingroup module_commandline
228 * Initializes the adapter to convert from a specified command line.
230 * The command line is required, because t_pargs wants to return
231 * strings by reference to the original command line.
232 * OptionsAdapter creates a copy of the `argv` array (but not the
233 * strings) to make this possible, even if the parser removes
234 * options it has recognized.
236 OptionsAdapter(int argc, const char* const argv[]) : argv_(argv, argv + argc) {}
239 * Converts a t_filenm option into an Options option.
241 * \param options Options object to add the new option to.
242 * \param fnm t_filenm option to convert.
244 void filenmToOptions(Options* options, t_filenm* fnm);
246 * Converts a t_pargs option into an Options option.
248 * \param options Options object to add the new option to.
249 * \param pa t_pargs option to convert.
251 void pargsToOptions(Options* options, t_pargs* pa);
254 * Copies values back from options to t_pargs/t_filenm.
261 //! Creates a conversion helper for a given `t_filenm` struct.
262 explicit FileNameData(t_filenm* fnm) : fnm(fnm), optionInfo(nullptr) {}
264 //! t_filenm structure to receive the final values.
266 //! Option info object for the created FileNameOption.
267 FileNameOptionInfo* optionInfo;
268 //! Value storage for the created FileNameOption.
269 std::vector<std::string> values;
271 struct ProgramArgData
273 //! Creates a conversion helper for a given `t_pargs` struct.
274 explicit ProgramArgData(t_pargs* pa) :
282 //! t_pargs structure to receive the final values.
284 //! Option info object for the created option.
285 OptionInfo* optionInfo;
286 //! Value storage for a non-enum StringOption (unused for other types).
287 std::string stringValue;
288 //! Value storage for an enum option (unused for other types).
290 //! Value storage for a BooleanOption (unused for other types).
294 std::vector<const char*> argv_;
295 // These are lists instead of vectors to avoid relocating existing
296 // objects in case the container is reallocated (the Options object
297 // contains pointes to members of the objects, which would get
299 std::list<FileNameData> fileNameOptions_;
300 std::list<ProgramArgData> programArgs_;
302 GMX_DISALLOW_COPY_AND_ASSIGN(OptionsAdapter);
305 void OptionsAdapter::filenmToOptions(Options* options, t_filenm* fnm)
307 const bool bRead = ((fnm->flag & ffREAD) != 0);
308 const bool bWrite = ((fnm->flag & ffWRITE) != 0);
309 const bool bOptional = ((fnm->flag & ffOPT) != 0);
310 const bool bLibrary = ((fnm->flag & ffLIB) != 0);
311 const bool bMultiple = ((fnm->flag & ffMULT) != 0);
312 const bool bMissing = ((fnm->flag & ffALLOW_MISSING) != 0);
313 const char* const name = (fnm->opt ? &fnm->opt[1] : &ftp2defopt(fnm->ftp)[1]);
314 const char* defName = fnm->fn;
316 if (defName == nullptr)
318 defName = ftp2defnm(fnm->ftp);
320 else if (Path::hasExtension(defName))
322 defType = fn2ftp(defName);
323 GMX_RELEASE_ASSERT(defType != efNR, "File name option specifies an invalid extension");
325 fileNameOptions_.emplace_back(fnm);
326 FileNameData& data = fileNameOptions_.back();
327 data.optionInfo = options->addOption(FileNameOption(name)
328 .storeVector(&data.values)
329 .defaultBasename(defName)
330 .defaultType(defType)
331 .legacyType(fnm->ftp)
332 .legacyOptionalBehavior()
333 .readWriteFlags(bRead, bWrite)
334 .required(!bOptional)
335 .libraryFile(bLibrary)
336 .multiValue(bMultiple)
337 .allowMissing(bMissing)
338 .description(ftp2desc(fnm->ftp)));
341 void OptionsAdapter::pargsToOptions(Options* options, t_pargs* pa)
343 const bool bHidden = startsWith(pa->desc, "HIDDEN");
344 const char* const name = &pa->option[1];
345 const char* const desc = (bHidden ? &pa->desc[6] : pa->desc);
346 programArgs_.emplace_back(pa);
347 ProgramArgData& data = programArgs_.back();
351 data.optionInfo = options->addOption(
352 IntegerOption(name).store(pa->u.i).description(desc).hidden(bHidden));
355 data.optionInfo = options->addOption(
356 Int64Option(name).store(pa->u.is).description(desc).hidden(bHidden));
360 options->addOption(RealOption(name).store(pa->u.r).description(desc).hidden(bHidden));
363 data.optionInfo = options->addOption(
364 RealOption(name).store(pa->u.r).timeValue().description(desc).hidden(bHidden));
368 const char* const defValue = (*pa->u.c != nullptr ? *pa->u.c : "");
369 data.optionInfo = options->addOption(StringOption(name)
370 .store(&data.stringValue)
371 .defaultValue(defValue)
377 data.optionInfo = options->addOption(BooleanOption(name)
378 .store(&data.boolValue)
379 .defaultValue(*pa->u.b)
384 data.optionInfo = options->addOption(
385 RealOption(name).store(*pa->u.rv).vector().description(desc).hidden(bHidden));
389 const int defaultIndex = (pa->u.c[0] != nullptr ? nenum(pa->u.c) - 1 : 0);
390 data.optionInfo = options->addOption(EnumIntOption(name)
391 .store(&data.enumIndex)
392 .defaultValue(defaultIndex)
393 .enumValueFromNullTerminatedArray(pa->u.c + 1)
399 GMX_THROW(NotImplementedError("Argument type not implemented"));
402 void OptionsAdapter::copyValues()
404 std::list<FileNameData>::const_iterator file;
405 for (file = fileNameOptions_.begin(); file != fileNameOptions_.end(); ++file)
407 if (file->optionInfo->isSet())
409 file->fnm->flag |= ffSET;
411 file->fnm->filenames = file->values;
413 std::list<ProgramArgData>::const_iterator arg;
414 for (arg = programArgs_.begin(); arg != programArgs_.end(); ++arg)
416 arg->pa->bSet = arg->optionInfo->isSet();
417 switch (arg->pa->type)
423 std::vector<const char*>::const_iterator pos =
424 std::find(argv_.begin(), argv_.end(), arg->stringValue);
425 GMX_RELEASE_ASSERT(pos != argv_.end(),
426 "String argument got a value not in argv");
427 *arg->pa->u.c = *pos;
431 case etBOOL: *arg->pa->u.b = arg->boolValue; break;
432 case etENUM: *arg->pa->u.c = arg->pa->u.c[arg->enumIndex + 1]; break;
434 // For other types, there is nothing type-specific to do.
444 gmx_bool parse_common_args(int* argc,
455 gmx_output_env_t** oenv)
457 /* This array should match the order of the enum in oenv.h */
458 const char* const xvg_formats[] = { "xmgrace", "xmgr", "none" };
460 // Lambda function to test the (local) Flags parameter against a bit mask.
461 auto isFlagSet = [Flags](unsigned long bits) { return (Flags & bits) == bits; };
465 double tbegin = 0.0, tend = 0.0, tdelta = 0.0;
466 bool bBeginTimeSet = false, bEndTimeSet = false, bDtSet = false;
469 gmx::OptionsAdapter adapter(*argc, argv);
470 gmx::Options options;
471 gmx::OptionsBehaviorCollection behaviors(&options);
472 gmx::FileNameOptionManager fileOptManager;
474 fileOptManager.disableInputOptionChecking(isFlagSet(PCA_DISABLE_INPUT_FILE_CHECKING));
475 options.addManager(&fileOptManager);
477 if (isFlagSet(PCA_CAN_SET_DEFFNM))
479 fileOptManager.addDefaultFileNameOption(&options, "deffnm");
481 if (isFlagSet(PCA_CAN_BEGIN))
484 gmx::DoubleOption("b").store(&tbegin).storeIsSet(&bBeginTimeSet).timeValue().description("Time of first frame to read from trajectory (default unit %t)"));
486 if (isFlagSet(PCA_CAN_END))
489 gmx::DoubleOption("e").store(&tend).storeIsSet(&bEndTimeSet).timeValue().description("Time of last frame to read from trajectory (default unit %t)"));
491 if (isFlagSet(PCA_CAN_DT))
493 options.addOption(gmx::DoubleOption("dt").store(&tdelta).storeIsSet(&bDtSet).timeValue().description(
494 "Only use frame when t MOD dt = first time (default unit %t)"));
496 gmx::TimeUnit timeUnit = gmx::TimeUnit_Default;
497 if (isFlagSet(PCA_TIME_UNIT))
499 std::shared_ptr<gmx::TimeUnitBehavior> timeUnitBehavior(new gmx::TimeUnitBehavior());
500 timeUnitBehavior->setTimeUnitStore(&timeUnit);
501 timeUnitBehavior->setTimeUnitFromEnvironment();
502 timeUnitBehavior->addTimeUnitOption(&options, "tu");
503 behaviors.addBehavior(timeUnitBehavior);
505 if (isFlagSet(PCA_CAN_VIEW))
507 options.addOption(gmx::BooleanOption("w").store(&bView).description(
508 "View output [REF].xvg[ref], [REF].xpm[ref], "
509 "[REF].eps[ref] and [REF].pdb[ref] files"));
513 for (int i = 0; i < nfile; i++)
515 bXvgr = bXvgr || (fnm[i].ftp == efXVG);
517 xvgFormat = gmx::getDefaultXvgFormat(xvg_formats);
521 gmx::EnumIntOption("xvg").enumValue(xvg_formats).store(&xvgFormat).description("xvg plot formatting"));
524 /* Now append the program specific arguments */
525 for (int i = 0; i < nfile; i++)
527 adapter.filenmToOptions(&options, &fnm[i]);
529 for (int i = 0; i < npargs; i++)
531 adapter.pargsToOptions(&options, &pa[i]);
534 const gmx::CommandLineHelpContext* context = gmx::GlobalCommandLineHelpContext::get();
535 if (context != nullptr)
537 GMX_RELEASE_ASSERT(gmx_node_rank() == 0,
538 "Help output should be handled higher up and "
539 "only get called only on the master rank");
540 gmx::CommandLineHelpWriter(options)
541 .setHelpText(gmx::constArrayRefFromArray<const char*>(desc, ndesc))
542 .setKnownIssues(gmx::constArrayRefFromArray(bugs, nbugs))
543 .writeHelp(*context);
547 /* Now parse all the command-line options */
548 gmx::CommandLineParser(&options)
549 .skipUnknown(isFlagSet(PCA_NOEXIT_ON_ARGS))
550 .allowPositionalArguments(isFlagSet(PCA_NOEXIT_ON_ARGS))
552 behaviors.optionsFinishing();
555 /* set program name, command line, and default values for output options */
556 output_env_init(oenv, gmx::getProgramContext(), static_cast<time_unit_t>(timeUnit + 1),
557 bView, // NOLINT(bugprone-misplaced-widening-cast)
558 static_cast<xvg_format_t>(xvgFormat + 1), 0);
560 /* Extract Time info from arguments */
563 setTimeValue(TBEGIN, tbegin);
567 setTimeValue(TEND, tend);
571 setTimeValue(TDELTA, tdelta);
574 adapter.copyValues();
578 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR