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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/enumerationhelpers.h"
63 #include "gromacs/utility/exceptions.h"
64 #include "gromacs/utility/fatalerror.h"
65 #include "gromacs/utility/gmxassert.h"
66 #include "gromacs/utility/path.h"
67 #include "gromacs/utility/programcontext.h"
68 #include "gromacs/utility/stringutil.h"
70 /* The source code in this file should be thread-safe.
71 Please keep it that way. */
73 int nenum(const char* const enumc[])
78 /* we *can* compare pointers directly here! */
79 while (enumc[i] && enumc[0] != enumc[i])
87 int opt2parg_int(const char* option, int nparg, t_pargs pa[])
91 for (i = 0; (i < nparg); i++)
93 if (strcmp(pa[i].option, option) == 0)
99 gmx_fatal(FARGS, "No integer option %s in pargs", option);
102 gmx_bool opt2parg_bool(const char* option, int nparg, t_pargs pa[])
106 for (i = 0; (i < nparg); i++)
108 if (strcmp(pa[i].option, option) == 0)
114 gmx_fatal(FARGS, "No boolean option %s in pargs", option);
119 real opt2parg_real(const char* option, int nparg, t_pargs pa[])
123 for (i = 0; (i < nparg); i++)
125 if (strcmp(pa[i].option, option) == 0)
131 gmx_fatal(FARGS, "No real option %s in pargs", option);
134 const char* opt2parg_str(const char* option, int nparg, t_pargs pa[])
138 for (i = 0; (i < nparg); i++)
140 if (strcmp(pa[i].option, option) == 0)
146 gmx_fatal(FARGS, "No string option %s in pargs", option);
149 gmx_bool opt2parg_bSet(const char* option, int nparg, const t_pargs* pa)
153 for (i = 0; (i < nparg); i++)
155 if (strcmp(pa[i].option, option) == 0)
161 gmx_fatal(FARGS, "No such option %s in pargs", option);
163 return FALSE; /* Too make some compilers happy */
166 const char* opt2parg_enum(const char* option, int nparg, t_pargs pa[])
170 for (i = 0; (i < nparg); i++)
172 if (strcmp(pa[i].option, option) == 0)
178 gmx_fatal(FARGS, "No such option %s in pargs", option);
181 /********************************************************************
182 * parse_common_args()
191 //! Names for XvgFormat
192 const gmx::EnumerationArray<XvgFormat, const char*> c_xvgFormatNames = { { "xmgrace", "xmgr",
195 /*! \brief Returns the default xvg format, as modified by GMX_VIEW_XVG
196 * if that environment variable is set.
198 * \ingroup module_commandline
200 XvgFormat getDefaultXvgFormat()
202 const char* const select = getenv("GMX_VIEW_XVG");
203 if (select != nullptr)
205 for (XvgFormat c : keysOf(c_xvgFormatNames))
207 if (std::strcmp(select, c_xvgFormatNames[c]) == 0)
212 return XvgFormat::None;
214 return XvgFormat::Xmgrace;
218 * Conversion helper between t_pargs/t_filenm and Options.
220 * This class holds the necessary mapping between the old C structures and
221 * the new C++ options to allow copying values back after parsing for cases
222 * where the C++ options do not directly provide the type of value required for
225 * \ingroup module_commandline
231 * Initializes the adapter to convert from a specified command line.
233 * The command line is required, because t_pargs wants to return
234 * strings by reference to the original command line.
235 * OptionsAdapter creates a copy of the `argv` array (but not the
236 * strings) to make this possible, even if the parser removes
237 * options it has recognized.
239 OptionsAdapter(int argc, const char* const argv[]) : argv_(argv, argv + argc) {}
242 * Converts a t_filenm option into an Options option.
244 * \param options Options object to add the new option to.
245 * \param fnm t_filenm option to convert.
247 void filenmToOptions(Options* options, t_filenm* fnm);
249 * Converts a t_pargs option into an Options option.
251 * \param options Options object to add the new option to.
252 * \param pa t_pargs option to convert.
254 void pargsToOptions(Options* options, t_pargs* pa);
257 * Copies values back from options to t_pargs/t_filenm.
264 //! Creates a conversion helper for a given `t_filenm` struct.
265 explicit FileNameData(t_filenm* fnm) : fnm(fnm), optionInfo(nullptr) {}
267 //! t_filenm structure to receive the final values.
269 //! Option info object for the created FileNameOption.
270 FileNameOptionInfo* optionInfo;
271 //! Value storage for the created FileNameOption.
272 std::vector<std::string> values;
274 struct ProgramArgData
276 //! Creates a conversion helper for a given `t_pargs` struct.
277 explicit ProgramArgData(t_pargs* pa) :
285 //! t_pargs structure to receive the final values.
287 //! Option info object for the created option.
288 OptionInfo* optionInfo;
289 //! Value storage for a non-enum StringOption (unused for other types).
290 std::string stringValue;
291 //! Value storage for an enum option (unused for other types).
293 //! Value storage for a BooleanOption (unused for other types).
297 std::vector<const char*> argv_;
298 // These are lists instead of vectors to avoid relocating existing
299 // objects in case the container is reallocated (the Options object
300 // contains pointes to members of the objects, which would get
302 std::list<FileNameData> fileNameOptions_;
303 std::list<ProgramArgData> programArgs_;
305 GMX_DISALLOW_COPY_AND_ASSIGN(OptionsAdapter);
308 void OptionsAdapter::filenmToOptions(Options* options, t_filenm* fnm)
310 const bool bRead = ((fnm->flag & ffREAD) != 0);
311 const bool bWrite = ((fnm->flag & ffWRITE) != 0);
312 const bool bOptional = ((fnm->flag & ffOPT) != 0);
313 const bool bLibrary = ((fnm->flag & ffLIB) != 0);
314 const bool bMultiple = ((fnm->flag & ffMULT) != 0);
315 const bool bMissing = ((fnm->flag & ffALLOW_MISSING) != 0);
316 const char* const name = (fnm->opt ? &fnm->opt[1] : &ftp2defopt(fnm->ftp)[1]);
317 const char* defName = fnm->fn;
319 if (defName == nullptr)
321 defName = ftp2defnm(fnm->ftp);
323 else if (Path::hasExtension(defName))
325 defType = fn2ftp(defName);
326 GMX_RELEASE_ASSERT(defType != efNR, "File name option specifies an invalid extension");
328 fileNameOptions_.emplace_back(fnm);
329 FileNameData& data = fileNameOptions_.back();
330 data.optionInfo = options->addOption(FileNameOption(name)
331 .storeVector(&data.values)
332 .defaultBasename(defName)
333 .defaultType(defType)
334 .legacyType(fnm->ftp)
335 .legacyOptionalBehavior()
336 .readWriteFlags(bRead, bWrite)
337 .required(!bOptional)
338 .libraryFile(bLibrary)
339 .multiValue(bMultiple)
340 .allowMissing(bMissing)
341 .description(ftp2desc(fnm->ftp)));
344 void OptionsAdapter::pargsToOptions(Options* options, t_pargs* pa)
346 const bool bHidden = startsWith(pa->desc, "HIDDEN");
347 const char* const name = &pa->option[1];
348 const char* const desc = (bHidden ? &pa->desc[6] : pa->desc);
349 programArgs_.emplace_back(pa);
350 ProgramArgData& data = programArgs_.back();
354 data.optionInfo = options->addOption(
355 IntegerOption(name).store(pa->u.i).description(desc).hidden(bHidden));
358 data.optionInfo = options->addOption(
359 Int64Option(name).store(pa->u.is).description(desc).hidden(bHidden));
363 options->addOption(RealOption(name).store(pa->u.r).description(desc).hidden(bHidden));
366 data.optionInfo = options->addOption(
367 RealOption(name).store(pa->u.r).timeValue().description(desc).hidden(bHidden));
371 const char* const defValue = (*pa->u.c != nullptr ? *pa->u.c : "");
372 data.optionInfo = options->addOption(StringOption(name)
373 .store(&data.stringValue)
374 .defaultValue(defValue)
380 data.optionInfo = options->addOption(BooleanOption(name)
381 .store(&data.boolValue)
382 .defaultValue(*pa->u.b)
387 data.optionInfo = options->addOption(
388 RealOption(name).store(*pa->u.rv).vector().description(desc).hidden(bHidden));
392 // TODO This is the only use of LegacyEnumOption. It
393 // exists to support dozens of analysis tools use that
394 // don't make sense to fix without either test coverage or
395 // automated refactoring. No new uses of LegacyEnumOption
397 const int defaultIndex = (pa->u.c[0] != nullptr ? nenum(pa->u.c) - 1 : 0);
398 data.optionInfo = options->addOption(LegacyEnumOption<int>(name)
399 .store(&data.enumIndex)
400 .defaultValue(defaultIndex)
401 .enumValueFromNullTerminatedArray(pa->u.c + 1)
407 GMX_THROW(NotImplementedError("Argument type not implemented"));
410 void OptionsAdapter::copyValues()
412 std::list<FileNameData>::const_iterator file;
413 for (file = fileNameOptions_.begin(); file != fileNameOptions_.end(); ++file)
415 if (file->optionInfo->isSet())
417 file->fnm->flag |= ffSET;
419 file->fnm->filenames = file->values;
421 std::list<ProgramArgData>::const_iterator arg;
422 for (arg = programArgs_.begin(); arg != programArgs_.end(); ++arg)
424 arg->pa->bSet = arg->optionInfo->isSet();
425 switch (arg->pa->type)
431 std::vector<const char*>::const_iterator pos =
432 std::find(argv_.begin(), argv_.end(), arg->stringValue);
433 GMX_RELEASE_ASSERT(pos != argv_.end(),
434 "String argument got a value not in argv");
435 *arg->pa->u.c = *pos;
439 case etBOOL: *arg->pa->u.b = arg->boolValue; break;
440 case etENUM: *arg->pa->u.c = arg->pa->u.c[arg->enumIndex + 1]; break;
442 // For other types, there is nothing type-specific to do.
452 gmx_bool parse_common_args(int* argc,
463 gmx_output_env_t** oenv)
465 // Lambda function to test the (local) Flags parameter against a bit mask.
466 auto isFlagSet = [Flags](unsigned long bits) { return (Flags & bits) == bits; };
470 double tbegin = 0.0, tend = 0.0, tdelta = 0.0;
471 bool bBeginTimeSet = false, bEndTimeSet = false, bDtSet = false;
473 gmx::OptionsAdapter adapter(*argc, argv);
474 gmx::Options options;
475 gmx::OptionsBehaviorCollection behaviors(&options);
476 gmx::FileNameOptionManager fileOptManager;
478 fileOptManager.disableInputOptionChecking(isFlagSet(PCA_DISABLE_INPUT_FILE_CHECKING));
479 options.addManager(&fileOptManager);
481 if (isFlagSet(PCA_CAN_SET_DEFFNM))
483 fileOptManager.addDefaultFileNameOption(&options, "deffnm");
485 if (isFlagSet(PCA_CAN_BEGIN))
488 gmx::DoubleOption("b").store(&tbegin).storeIsSet(&bBeginTimeSet).timeValue().description("Time of first frame to read from trajectory (default unit %t)"));
490 if (isFlagSet(PCA_CAN_END))
493 gmx::DoubleOption("e").store(&tend).storeIsSet(&bEndTimeSet).timeValue().description("Time of last frame to read from trajectory (default unit %t)"));
495 if (isFlagSet(PCA_CAN_DT))
497 options.addOption(gmx::DoubleOption("dt").store(&tdelta).storeIsSet(&bDtSet).timeValue().description(
498 "Only use frame when t MOD dt = first time (default unit %t)"));
500 gmx::TimeUnit timeUnit = gmx::TimeUnit::Default;
501 if (isFlagSet(PCA_TIME_UNIT))
503 std::shared_ptr<gmx::TimeUnitBehavior> timeUnitBehavior(new gmx::TimeUnitBehavior());
504 timeUnitBehavior->setTimeUnitStore(&timeUnit);
505 timeUnitBehavior->setTimeUnitFromEnvironment();
506 timeUnitBehavior->addTimeUnitOption(&options, "tu");
507 behaviors.addBehavior(timeUnitBehavior);
509 if (isFlagSet(PCA_CAN_VIEW))
511 options.addOption(gmx::BooleanOption("w").store(&bView).description(
512 "View output [REF].xvg[ref], [REF].xpm[ref], "
513 "[REF].eps[ref] and [REF].pdb[ref] files"));
517 for (int i = 0; i < nfile; i++)
519 bXvgr = bXvgr || (fnm[i].ftp == efXVG);
521 XvgFormat xvgFormat = gmx::getDefaultXvgFormat();
524 options.addOption(gmx::EnumOption<XvgFormat>("xvg")
525 .enumValue(gmx::c_xvgFormatNames)
527 .description("xvg plot formatting"));
530 /* Now append the program specific arguments */
531 for (int i = 0; i < nfile; i++)
533 adapter.filenmToOptions(&options, &fnm[i]);
535 for (int i = 0; i < npargs; i++)
537 adapter.pargsToOptions(&options, &pa[i]);
540 const gmx::CommandLineHelpContext* context = gmx::GlobalCommandLineHelpContext::get();
541 if (context != nullptr)
543 GMX_RELEASE_ASSERT(gmx_node_rank() == 0,
544 "Help output should be handled higher up and "
545 "only get called only on the master rank");
546 gmx::CommandLineHelpWriter(options)
547 .setHelpText(gmx::constArrayRefFromArray<const char*>(desc, ndesc))
548 .setKnownIssues(gmx::constArrayRefFromArray(bugs, nbugs))
549 .writeHelp(*context);
553 /* Now parse all the command-line options */
554 gmx::CommandLineParser(&options)
555 .skipUnknown(isFlagSet(PCA_NOEXIT_ON_ARGS))
556 .allowPositionalArguments(isFlagSet(PCA_NOEXIT_ON_ARGS))
558 behaviors.optionsFinishing();
561 /* set program name, command line, and default values for output options */
562 // NOLINTNEXTLINE(bugprone-misplaced-widening-cast)
563 output_env_init(oenv, gmx::getProgramContext(), timeUnit, bView, xvgFormat, 0);
565 /* Extract Time info from arguments */
568 setTimeValue(TBEGIN, tbegin);
572 setTimeValue(TEND, tend);
576 setTimeValue(TDELTA, tdelta);
579 adapter.copyValues();
583 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR