*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
+/*! \file
+ * \brief
+ * Declares \c t_pargs, parse_common_args() and related methods.
+ *
+ * \inpublicapi
+ * \ingroup module_commandline
+ */
#ifndef GMX_COMMANDLINE_PARGS_H
#define GMX_COMMANDLINE_PARGS_H
-#include "../legacyheaders/types/simple.h"
-#include "../legacyheaders/oenv.h"
-#include "../fileio/filenm.h"
+#include "gromacs/fileio/filenm.h"
+#include "gromacs/legacyheaders/oenv.h"
+#include "gromacs/math/vectypes.h"
+#include "gromacs/utility/basedefinitions.h"
+#include "gromacs/utility/real.h"
#ifdef __cplusplus
extern "C"
{
#endif
-/* This structure is used for parsing arguments off the comand line */
+/*! \addtogroup module_commandline
+ * \{
+ */
+
+/** Command line argument type. */
enum
{
- etINT, etINT64, etREAL, etTIME, etSTR, etBOOL, etRVEC, etENUM, etNR
+ etINT, etINT64, etREAL, etTIME, etSTR, etBOOL, etRVEC, etENUM, etNR
};
+/*! \brief
+ * Command-line argument definition for C code.
+ *
+ * \inpublicapi
+ */
typedef struct
{
+ /** Name of the argument (with leading dash included). */
const char *option;
+ /** Whether the argument is set (should be initialized to `FALSE`). */
gmx_bool bSet;
+ /** Type of the argument (one of the enums in pargs.h). */
int type;
+ /*! \brief
+ * Pointer to variable that is to receive the value.
+ *
+ * The expected type depends on the value of \a type.
+ * If an argument is not set by the user, then the pointed value is not
+ * changed. In other words, the initial value for the variable defines the
+ * default value.
+ */
union
{
- void *v; /* This is a nasty workaround, to be able to use initialized */
- int *i; /* arrays */
+ /*! \brief
+ * Generic pointer for operations that do not need type information.
+ *
+ * Needs to be the first member to use initialized arrays.
+ */
+ void *v;
+ /** Integer value for etINT. */
+ int *i;
+ /** Integer value for etINT64. */
gmx_int64_t *is;
+ /** Real value for etREAL and etTIME. */
real *r;
- const char **c; /* Must be pointer to string (when type == etSTR) */
- /* or null terminated list of enums (when type == etENUM) */
+ /*! \brief
+ * String value for etSTR and etENUM.
+ *
+ * For etSTR, this should point to a `const char *` variable, which
+ * will receive a pointer to the string value (caller should not free
+ * the string).
+ *
+ * For etENUM, this should be an array of `const char *` values, where
+ * the first and last values are `NULL`, and the other values define
+ * the allowed enum values. The first non-NULL value is the default
+ * value. After the arguments are parsed, the first element in the array
+ * points to the selected enum value (pointers will be equal).
+ */
+ const char **c;
+ /** Boolean value for etBOOL. */
gmx_bool *b;
+ /** Vector value for etRVEC. */
rvec *rv;
} u;
+ /*! \brief
+ * Description for the argument.
+ *
+ * If the string starts with `HIDDEN`, then the argument is hidden from
+ * normal help listing and shell completions.
+ */
const char *desc;
} t_pargs;
-gmx_bool is_hidden(t_pargs *pa);
-/* Return TRUE when the option is a secret one */
-
-int nenum(const char *const enumc[]);
-/* returns ordinal number of selected enum from args
- * depends on enumc[0] pointing to one of the other elements
- * array must be terminated by a NULL pointer
+/*! \brief
+ * Returns ordinal number for an etENUM argument.
+ *
+ * \param[in] enumc Array passed to `t_pargs` for an etENUM argument.
+ * \returns Index of selected enum value in the array.
+ *
+ * See t_pargs::u::c for the expected format of the array, including how the
+ * first element should be initialized.
+ * Note that the return value starts at one instead of zero: if the first enum
+ * value is selected, this returns 1.
*/
+int nenum(const char *const enumc[]);
+/*! \brief
+ * Returns value of an etINT option.
+ *
+ * \param[in] option Name of etINT argument to query.
+ * \param[in] nparg Number of elements in \p pa.
+ * \param[in] pa Array of arguments.
+ * \returns Value of \p option.
+ *
+ * \p option must specify a valid argument in \p pa of the correct type.
+ */
int opt2parg_int(const char *option, int nparg, t_pargs pa[]);
-gmx_bool opt2parg_gmx_bool(const char *option, int nparg, t_pargs pa[]);
+/*! \brief
+ * Returns value of an etBOOL option.
+ *
+ * \param[in] option Name of etBOOL argument to query.
+ * \param[in] nparg Number of elements in \p pa.
+ * \param[in] pa Array of arguments.
+ * \returns Value of \p option.
+ *
+ * \p option must specify a valid argument in \p pa of the correct type.
+ */
+gmx_bool opt2parg_bool(const char *option, int nparg, t_pargs pa[]);
+/*! \brief
+ * Returns value of an etREAL/etTIME option.
+ *
+ * \param[in] option Name of etREAL/etTIME argument to query.
+ * \param[in] nparg Number of elements in \p pa.
+ * \param[in] pa Array of arguments.
+ * \returns Value of \p option.
+ *
+ * \p option must specify a valid argument in \p pa of the correct type.
+ */
real opt2parg_real(const char *option, int nparg, t_pargs pa[]);
+/*! \brief
+ * Returns value of an etSTR option.
+ *
+ * \param[in] option Name of etSTR argument to query.
+ * \param[in] nparg Number of elements in \p pa.
+ * \param[in] pa Array of arguments.
+ * \returns Value of \p option.
+ *
+ * \p option must specify a valid argument in \p pa of the correct type.
+ */
const char *opt2parg_str(const char *option, int nparg, t_pargs pa[]);
+/*! \brief
+ * Returns value of an etENUM option.
+ *
+ * \param[in] option Name of etENUM argument to query.
+ * \param[in] nparg Number of elements in \p pa.
+ * \param[in] pa Array of arguments.
+ * \returns Value of \p option.
+ *
+ * \p option must specify a valid argument in \p pa of the correct type.
+ */
const char *opt2parg_enum(const char *option, int nparg, t_pargs pa[]);
+/*! \brief
+ * Returns whether an argument has been set.
+ *
+ * \param[in] option Name of argument to check.
+ * \param[in] nparg Number of elements in \p pa.
+ * \param[in] pa Array of arguments.
+ * \returns `true` if \p option has been set.
+ *
+ * \p option must specify a valid argument in \p pa.
+ */
gmx_bool opt2parg_bSet(const char *option, int nparg, t_pargs pa[]);
+/** Add option -w to view output files (must be implemented in program). */
#define PCA_CAN_VIEW (1<<5)
-/* add option -w to view output files (must be implemented in program) */
+/** Add option to set begin time for trajectory reading. */
#define PCA_CAN_BEGIN (1<<6)
+/** Add option to set end time for trajectory reading. */
#define PCA_CAN_END (1<<7)
+/** Add option to set time step for trajectory reading. */
#define PCA_CAN_DT (1<<14)
+/** Add all options for trajectory time control. */
#define PCA_CAN_TIME (PCA_CAN_BEGIN | PCA_CAN_END | PCA_CAN_DT)
-/* adds options -b and -e for begin and end time for reading trajectories */
+/** Add option -tu to set time unit for output. */
#define PCA_TIME_UNIT (1<<15)
-/* set time unit for output */
+/** Add option -deffnm to set default for all file options. */
#define PCA_CAN_SET_DEFFNM (1<<10)
-/* does something for non-master mdrun nodes */
+/** Do not raise a fatal error when invalid options are encountered. */
#define PCA_NOEXIT_ON_ARGS (1<<11)
-/* no fatal_error when invalid options are encountered */
-#define PCA_QUIET (1<<12)
-/* does something for non-master mdrun nodes */
-#define PCA_BE_NICE (1<<13)
-/* Default to low priority, unless configured with --disable-nice */
+/** Is this node not reading: for parallel all nodes but the master */
#define PCA_NOT_READ_NODE (1<<16)
-/* Is this node not reading: for parallel all nodes but the master */
+/** Don't do any special processing for ffREAD files */
+#define PCA_DISABLE_INPUT_FILE_CHECKING (1<<17)
+/*! \brief
+ * Parse command-line arguments.
+ *
+ * Some common default arguments are also recognized in addition to those
+ * provided through \p pa. The set of recognized default arguments is affected
+ * by \p Flags.
+ *
+ * Recognized arguments are removed from the list.
+ *
+ * For full functionality, this function needs to be used within a function
+ * that is passed to gmx_run_cmain(). It should be called as the first thing in
+ * that function. Initialization code can be executed before it, but you need
+ * to be aware that if the program is executed with -h and MPI, the code before
+ * parse_common_args() only executes on the master node.
+ *
+ * If the return value is `FALSE`, the program should return immediately (this
+ * is necessary for -h and a few other cases).
+ *
+ * \see gmx_run_cmain().
+ */
gmx_bool parse_common_args(int *argc, char *argv[], unsigned long Flags,
int nfile, t_filenm fnm[], int npargs, t_pargs *pa,
int ndesc, const char **desc,
int nbugs, const char **bugs,
output_env_t *oenv);
-/* Get arguments from the arg-list. The arguments extracted
- * are removed from the list. If manual is NULL a default message is displayed
- * when errors are encountered. The Flags argument, when non-0 enables
- * some input checks. Using this routine also means that the arguments
- * -b and -e will be used for begin and end time, whether this is
- * appropriate or not!
- */
+
+/*! \} */
#ifdef __cplusplus
}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff