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48 #include "gromacs/commandline/cmdlinehelpcontext.h"
49 #include "gromacs/commandline/cmdlinehelpwriter.h"
50 #include "gromacs/commandline/cmdlineparser.h"
51 #include "gromacs/fileio/oenv.h"
52 #include "gromacs/fileio/timecontrol.h"
53 #include "gromacs/options/basicoptions.h"
54 #include "gromacs/options/behaviorcollection.h"
55 #include "gromacs/options/filenameoption.h"
56 #include "gromacs/options/filenameoptionmanager.h"
57 #include "gromacs/options/options.h"
58 #include "gromacs/options/timeunitmanager.h"
59 #include "gromacs/utility/arrayref.h"
60 #include "gromacs/utility/basenetwork.h"
61 #include "gromacs/utility/classhelpers.h"
62 #include "gromacs/utility/exceptions.h"
63 #include "gromacs/utility/fatalerror.h"
64 #include "gromacs/utility/gmxassert.h"
65 #include "gromacs/utility/path.h"
66 #include "gromacs/utility/programcontext.h"
67 #include "gromacs/utility/stringutil.h"
69 /* The source code in this file should be thread-safe.
70 Please keep it that way. */
72 int nenum(const char* const enumc[])
77 /* we *can* compare pointers directly here! */
78 while (enumc[i] && enumc[0] != enumc[i])
86 int opt2parg_int(const char* option, int nparg, t_pargs pa[])
90 for (i = 0; (i < nparg); i++)
92 if (strcmp(pa[i].option, option) == 0)
98 gmx_fatal(FARGS, "No integer option %s in pargs", option);
101 gmx_bool opt2parg_bool(const char* option, int nparg, t_pargs pa[])
105 for (i = 0; (i < nparg); i++)
107 if (strcmp(pa[i].option, option) == 0)
113 gmx_fatal(FARGS, "No boolean option %s in pargs", option);
118 real opt2parg_real(const char* option, int nparg, t_pargs pa[])
122 for (i = 0; (i < nparg); i++)
124 if (strcmp(pa[i].option, option) == 0)
130 gmx_fatal(FARGS, "No real option %s in pargs", option);
133 const char* opt2parg_str(const char* option, int nparg, t_pargs pa[])
137 for (i = 0; (i < nparg); i++)
139 if (strcmp(pa[i].option, option) == 0)
145 gmx_fatal(FARGS, "No string option %s in pargs", option);
148 gmx_bool opt2parg_bSet(const char* option, int nparg, const t_pargs* pa)
152 for (i = 0; (i < nparg); i++)
154 if (strcmp(pa[i].option, option) == 0)
160 gmx_fatal(FARGS, "No such option %s in pargs", option);
162 return FALSE; /* Too make some compilers happy */
165 const char* opt2parg_enum(const char* option, int nparg, t_pargs pa[])
169 for (i = 0; (i < nparg); i++)
171 if (strcmp(pa[i].option, option) == 0)
177 gmx_fatal(FARGS, "No such option %s in pargs", option);
180 /********************************************************************
181 * parse_common_args()
191 * Returns the index of the default xvg format.
193 * \ingroup module_commandline
195 int getDefaultXvgFormat(gmx::ArrayRef<const char* const> xvgFormats)
197 const char* const select = getenv("GMX_VIEW_XVG");
198 if (select != nullptr)
200 ArrayRef<const char* const>::const_iterator i =
201 std::find(xvgFormats.begin(), xvgFormats.end(), std::string(select));
202 if (i != xvgFormats.end())
204 return std::distance(xvgFormats.begin(), i);
211 /* The default is the first option */
216 * Conversion helper between t_pargs/t_filenm and Options.
218 * This class holds the necessary mapping between the old C structures and
219 * the new C++ options to allow copying values back after parsing for cases
220 * where the C++ options do not directly provide the type of value required for
223 * \ingroup module_commandline
229 * Initializes the adapter to convert from a specified command line.
231 * The command line is required, because t_pargs wants to return
232 * strings by reference to the original command line.
233 * OptionsAdapter creates a copy of the `argv` array (but not the
234 * strings) to make this possible, even if the parser removes
235 * options it has recognized.
237 OptionsAdapter(int argc, const char* const argv[]) : argv_(argv, argv + argc) {}
240 * Converts a t_filenm option into an Options option.
242 * \param options Options object to add the new option to.
243 * \param fnm t_filenm option to convert.
245 void filenmToOptions(Options* options, t_filenm* fnm);
247 * Converts a t_pargs option into an Options option.
249 * \param options Options object to add the new option to.
250 * \param pa t_pargs option to convert.
252 void pargsToOptions(Options* options, t_pargs* pa);
255 * Copies values back from options to t_pargs/t_filenm.
262 //! Creates a conversion helper for a given `t_filenm` struct.
263 explicit FileNameData(t_filenm* fnm) : fnm(fnm), optionInfo(nullptr) {}
265 //! t_filenm structure to receive the final values.
267 //! Option info object for the created FileNameOption.
268 FileNameOptionInfo* optionInfo;
269 //! Value storage for the created FileNameOption.
270 std::vector<std::string> values;
272 struct ProgramArgData
274 //! Creates a conversion helper for a given `t_pargs` struct.
275 explicit ProgramArgData(t_pargs* pa) :
283 //! t_pargs structure to receive the final values.
285 //! Option info object for the created option.
286 OptionInfo* optionInfo;
287 //! Value storage for a non-enum StringOption (unused for other types).
288 std::string stringValue;
289 //! Value storage for an enum option (unused for other types).
291 //! Value storage for a BooleanOption (unused for other types).
295 std::vector<const char*> argv_;
296 // These are lists instead of vectors to avoid relocating existing
297 // objects in case the container is reallocated (the Options object
298 // contains pointes to members of the objects, which would get
300 std::list<FileNameData> fileNameOptions_;
301 std::list<ProgramArgData> programArgs_;
303 GMX_DISALLOW_COPY_AND_ASSIGN(OptionsAdapter);
306 void OptionsAdapter::filenmToOptions(Options* options, t_filenm* fnm)
308 const bool bRead = ((fnm->flag & ffREAD) != 0);
309 const bool bWrite = ((fnm->flag & ffWRITE) != 0);
310 const bool bOptional = ((fnm->flag & ffOPT) != 0);
311 const bool bLibrary = ((fnm->flag & ffLIB) != 0);
312 const bool bMultiple = ((fnm->flag & ffMULT) != 0);
313 const bool bMissing = ((fnm->flag & ffALLOW_MISSING) != 0);
314 const char* const name = (fnm->opt ? &fnm->opt[1] : &ftp2defopt(fnm->ftp)[1]);
315 const char* defName = fnm->fn;
317 if (defName == nullptr)
319 defName = ftp2defnm(fnm->ftp);
321 else if (Path::hasExtension(defName))
323 defType = fn2ftp(defName);
324 GMX_RELEASE_ASSERT(defType != efNR, "File name option specifies an invalid extension");
326 fileNameOptions_.emplace_back(fnm);
327 FileNameData& data = fileNameOptions_.back();
328 data.optionInfo = options->addOption(FileNameOption(name)
329 .storeVector(&data.values)
330 .defaultBasename(defName)
331 .defaultType(defType)
332 .legacyType(fnm->ftp)
333 .legacyOptionalBehavior()
334 .readWriteFlags(bRead, bWrite)
335 .required(!bOptional)
336 .libraryFile(bLibrary)
337 .multiValue(bMultiple)
338 .allowMissing(bMissing)
339 .description(ftp2desc(fnm->ftp)));
342 void OptionsAdapter::pargsToOptions(Options* options, t_pargs* pa)
344 const bool bHidden = startsWith(pa->desc, "HIDDEN");
345 const char* const name = &pa->option[1];
346 const char* const desc = (bHidden ? &pa->desc[6] : pa->desc);
347 programArgs_.emplace_back(pa);
348 ProgramArgData& data = programArgs_.back();
352 data.optionInfo = options->addOption(
353 IntegerOption(name).store(pa->u.i).description(desc).hidden(bHidden));
356 data.optionInfo = options->addOption(
357 Int64Option(name).store(pa->u.is).description(desc).hidden(bHidden));
361 options->addOption(RealOption(name).store(pa->u.r).description(desc).hidden(bHidden));
364 data.optionInfo = options->addOption(
365 RealOption(name).store(pa->u.r).timeValue().description(desc).hidden(bHidden));
369 const char* const defValue = (*pa->u.c != nullptr ? *pa->u.c : "");
370 data.optionInfo = options->addOption(StringOption(name)
371 .store(&data.stringValue)
372 .defaultValue(defValue)
378 data.optionInfo = options->addOption(BooleanOption(name)
379 .store(&data.boolValue)
380 .defaultValue(*pa->u.b)
385 data.optionInfo = options->addOption(
386 RealOption(name).store(*pa->u.rv).vector().description(desc).hidden(bHidden));
390 const int defaultIndex = (pa->u.c[0] != nullptr ? nenum(pa->u.c) - 1 : 0);
391 data.optionInfo = options->addOption(EnumIntOption(name)
392 .store(&data.enumIndex)
393 .defaultValue(defaultIndex)
394 .enumValueFromNullTerminatedArray(pa->u.c + 1)
400 GMX_THROW(NotImplementedError("Argument type not implemented"));
403 void OptionsAdapter::copyValues()
405 std::list<FileNameData>::const_iterator file;
406 for (file = fileNameOptions_.begin(); file != fileNameOptions_.end(); ++file)
408 if (file->optionInfo->isSet())
410 file->fnm->flag |= ffSET;
412 file->fnm->filenames = file->values;
414 std::list<ProgramArgData>::const_iterator arg;
415 for (arg = programArgs_.begin(); arg != programArgs_.end(); ++arg)
417 arg->pa->bSet = arg->optionInfo->isSet();
418 switch (arg->pa->type)
424 std::vector<const char*>::const_iterator pos =
425 std::find(argv_.begin(), argv_.end(), arg->stringValue);
426 GMX_RELEASE_ASSERT(pos != argv_.end(),
427 "String argument got a value not in argv");
428 *arg->pa->u.c = *pos;
432 case etBOOL: *arg->pa->u.b = arg->boolValue; break;
433 case etENUM: *arg->pa->u.c = arg->pa->u.c[arg->enumIndex + 1]; break;
435 // For other types, there is nothing type-specific to do.
445 gmx_bool parse_common_args(int* argc,
456 gmx_output_env_t** oenv)
458 /* This array should match the order of the enum in oenv.h */
459 const char* const xvg_formats[] = { "xmgrace", "xmgr", "none" };
461 // Lambda function to test the (local) Flags parameter against a bit mask.
462 auto isFlagSet = [Flags](unsigned long bits) { return (Flags & bits) == bits; };
466 double tbegin = 0.0, tend = 0.0, tdelta = 0.0;
467 bool bBeginTimeSet = false, bEndTimeSet = false, bDtSet = false;
470 gmx::OptionsAdapter adapter(*argc, argv);
471 gmx::Options options;
472 gmx::OptionsBehaviorCollection behaviors(&options);
473 gmx::FileNameOptionManager fileOptManager;
475 fileOptManager.disableInputOptionChecking(isFlagSet(PCA_DISABLE_INPUT_FILE_CHECKING));
476 options.addManager(&fileOptManager);
478 if (isFlagSet(PCA_CAN_SET_DEFFNM))
480 fileOptManager.addDefaultFileNameOption(&options, "deffnm");
482 if (isFlagSet(PCA_CAN_BEGIN))
485 gmx::DoubleOption("b").store(&tbegin).storeIsSet(&bBeginTimeSet).timeValue().description("Time of first frame to read from trajectory (default unit %t)"));
487 if (isFlagSet(PCA_CAN_END))
490 gmx::DoubleOption("e").store(&tend).storeIsSet(&bEndTimeSet).timeValue().description("Time of last frame to read from trajectory (default unit %t)"));
492 if (isFlagSet(PCA_CAN_DT))
494 options.addOption(gmx::DoubleOption("dt").store(&tdelta).storeIsSet(&bDtSet).timeValue().description(
495 "Only use frame when t MOD dt = first time (default unit %t)"));
497 gmx::TimeUnit timeUnit = gmx::TimeUnit_Default;
498 if (isFlagSet(PCA_TIME_UNIT))
500 std::shared_ptr<gmx::TimeUnitBehavior> timeUnitBehavior(new gmx::TimeUnitBehavior());
501 timeUnitBehavior->setTimeUnitStore(&timeUnit);
502 timeUnitBehavior->setTimeUnitFromEnvironment();
503 timeUnitBehavior->addTimeUnitOption(&options, "tu");
504 behaviors.addBehavior(timeUnitBehavior);
506 if (isFlagSet(PCA_CAN_VIEW))
508 options.addOption(gmx::BooleanOption("w").store(&bView).description(
509 "View output [REF].xvg[ref], [REF].xpm[ref], "
510 "[REF].eps[ref] and [REF].pdb[ref] files"));
514 for (int i = 0; i < nfile; i++)
516 bXvgr = bXvgr || (fnm[i].ftp == efXVG);
518 xvgFormat = gmx::getDefaultXvgFormat(xvg_formats);
522 gmx::EnumIntOption("xvg").enumValue(xvg_formats).store(&xvgFormat).description("xvg plot formatting"));
525 /* Now append the program specific arguments */
526 for (int i = 0; i < nfile; i++)
528 adapter.filenmToOptions(&options, &fnm[i]);
530 for (int i = 0; i < npargs; i++)
532 adapter.pargsToOptions(&options, &pa[i]);
535 const gmx::CommandLineHelpContext* context = gmx::GlobalCommandLineHelpContext::get();
536 if (context != nullptr)
538 GMX_RELEASE_ASSERT(gmx_node_rank() == 0,
539 "Help output should be handled higher up and "
540 "only get called only on the master rank");
541 gmx::CommandLineHelpWriter(options)
542 .setHelpText(gmx::constArrayRefFromArray<const char*>(desc, ndesc))
543 .setKnownIssues(gmx::constArrayRefFromArray(bugs, nbugs))
544 .writeHelp(*context);
548 /* Now parse all the command-line options */
549 gmx::CommandLineParser(&options)
550 .skipUnknown(isFlagSet(PCA_NOEXIT_ON_ARGS))
551 .allowPositionalArguments(isFlagSet(PCA_NOEXIT_ON_ARGS))
553 behaviors.optionsFinishing();
556 /* set program name, command line, and default values for output options */
557 // NOLINTNEXTLINE(bugprone-misplaced-widening-cast)
558 output_env_init(oenv, gmx::getProgramContext(), static_cast<time_unit_t>(timeUnit + 1),
559 bView, static_cast<xvg_format_t>(xvgFormat + 1), 0);
561 /* Extract Time info from arguments */
564 setTimeValue(TBEGIN, tbegin);
568 setTimeValue(TEND, tend);
572 setTimeValue(TDELTA, tdelta);
575 adapter.copyValues();
579 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR