src/gromacs/commandline/pargs.h

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  37 /*! \file
  38  * \brief
  39  * Declares \c t_pargs, parse_common_args() and related methods.
  40  *
  41  * \inpublicapi
  42  * \ingroup module_commandline
  43  */
  44 #ifndef GMX_COMMANDLINE_PARGS_H
  45 #define GMX_COMMANDLINE_PARGS_H
  46
  47 #include "gromacs/fileio/filenm.h"
  48 #include "gromacs/legacyheaders/oenv.h"
  49 #include "gromacs/math/vectypes.h"
  50 #include "gromacs/utility/basedefinitions.h"
  51 #include "gromacs/utility/real.h"
  52
  53 #ifdef __cplusplus
  54 extern "C"
  55 {
  56 #endif
  57
  58 /*! \addtogroup module_commandline
  59  * \{
  60  */
  61
  62 /** Command line argument type. */
  63 enum
  64 {
  65     etINT, etINT64, etREAL, etTIME, etSTR, etBOOL, etRVEC, etENUM, etNR
  66 };
  67
  68 /*! \brief
  69  * Command-line argument definition for C code.
  70  *
  71  * \inpublicapi
  72  */
  73 typedef struct
  74 {
  75     /** Name of the argument (with leading dash included). */
  76     const char *option;
  77     /** Whether the argument is set (should be initialized to `FALSE`). */
  78     gmx_bool    bSet;
  79     /** Type of the argument (one of the enums in pargs.h). */
  80     int         type;
  81     /*! \brief
  82      * Pointer to variable that is to receive the value.
  83      *
  84      * The expected type depends on the value of \a type.
  85      * If an argument is not set by the user, then the pointed value is not
  86      * changed.  In other words, the initial value for the variable defines the
  87      * default value.
  88      */
  89     union
  90     {
  91         /*! \brief
  92          * Generic pointer for operations that do not need type information.
  93          *
  94          * Needs to be the first member to use initialized arrays.
  95          */
  96         void            *v;
  97         /** Integer value for etINT. */
  98         int             *i;
  99         /** Integer value for etINT64. */
 100         gmx_int64_t     *is;
 101         /** Real value for etREAL and etTIME. */
 102         real            *r;
 103         /*! \brief
 104          * String value for etSTR and etENUM.
 105          *
 106          * For etSTR, this should point to a `const char *` variable, which
 107          * will receive a pointer to the string value (caller should not free
 108          * the string).
 109          *
 110          * For etENUM, this should be an array of `const char *` values, where
 111          * the first and last values are `NULL`, and the other values define
 112          * the allowed enum values.  The first non-NULL value is the default
 113          * value.  After the arguments are parsed, the first element in the array
 114          * points to the selected enum value (pointers will be equal).
 115          */
 116         const char     **c;
 117         /** Boolean value for etBOOL. */
 118         gmx_bool        *b;
 119         /** Vector value for etRVEC. */
 120         rvec            *rv;
 121     }           u;
 122     /*! \brief
 123      * Description for the argument.
 124      *
 125      * If the string starts with `HIDDEN`, then the argument is hidden from
 126      * normal help listing and shell completions.
 127      */
 128     const char *desc;
 129 } t_pargs;
 130
 131 /*! \brief
 132  * Returns ordinal number for an etENUM argument.
 133  *
 134  * \param[in] enumc  Array passed to `t_pargs` for an etENUM argument.
 135  * \returns   Index of selected enum value in the array.
 136  *
 137  * See t_pargs::u::c for the expected format of the array, including how the
 138  * first element should be initialized.
 139  * Note that the return value starts at one instead of zero: if the first enum
 140  * value is selected, this returns 1.
 141  */
 142 int nenum(const char *const enumc[]);
 143
 144 /*! \brief
 145  * Returns value of an etINT option.
 146  *
 147  * \param[in] option Name of etINT argument to query.
 148  * \param[in] nparg  Number of elements in \p pa.
 149  * \param[in] pa     Array of arguments.
 150  * \returns   Value of \p option.
 151  *
 152  * \p option must specify a valid argument in \p pa of the correct type.
 153  */
 154 int opt2parg_int(const char *option, int nparg, t_pargs pa[]);
 155
 156 /*! \brief
 157  * Returns value of an etBOOL option.
 158  *
 159  * \param[in] option Name of etBOOL argument to query.
 160  * \param[in] nparg  Number of elements in \p pa.
 161  * \param[in] pa     Array of arguments.
 162  * \returns   Value of \p option.
 163  *
 164  * \p option must specify a valid argument in \p pa of the correct type.
 165  */
 166 gmx_bool opt2parg_bool(const char *option, int nparg, t_pargs pa[]);
 167
 168 /*! \brief
 169  * Returns value of an etREAL/etTIME option.
 170  *
 171  * \param[in] option Name of etREAL/etTIME argument to query.
 172  * \param[in] nparg  Number of elements in \p pa.
 173  * \param[in] pa     Array of arguments.
 174  * \returns   Value of \p option.
 175  *
 176  * \p option must specify a valid argument in \p pa of the correct type.
 177  */
 178 real opt2parg_real(const char *option, int nparg, t_pargs pa[]);
 179
 180 /*! \brief
 181  * Returns value of an etSTR option.
 182  *
 183  * \param[in] option Name of etSTR argument to query.
 184  * \param[in] nparg  Number of elements in \p pa.
 185  * \param[in] pa     Array of arguments.
 186  * \returns   Value of \p option.
 187  *
 188  * \p option must specify a valid argument in \p pa of the correct type.
 189  */
 190 const char *opt2parg_str(const char *option, int nparg, t_pargs pa[]);
 191
 192 /*! \brief
 193  * Returns value of an etENUM option.
 194  *
 195  * \param[in] option Name of etENUM argument to query.
 196  * \param[in] nparg  Number of elements in \p pa.
 197  * \param[in] pa     Array of arguments.
 198  * \returns   Value of \p option.
 199  *
 200  * \p option must specify a valid argument in \p pa of the correct type.
 201  */
 202 const char *opt2parg_enum(const char *option, int nparg, t_pargs pa[]);
 203
 204 /*! \brief
 205  * Returns whether an argument has been set.
 206  *
 207  * \param[in] option Name of argument to check.
 208  * \param[in] nparg  Number of elements in \p pa.
 209  * \param[in] pa     Array of arguments.
 210  * \returns   `true` if \p option has been set.
 211  *
 212  * \p option must specify a valid argument in \p pa.
 213  */
 214 gmx_bool opt2parg_bSet(const char *option, int nparg, t_pargs pa[]);
 215
 216
 217 /** Add option -w to view output files (must be implemented in program). */
 218 #define PCA_CAN_VIEW       (1<<5)
 219 /** Add option to set begin time for trajectory reading. */
 220 #define PCA_CAN_BEGIN      (1<<6)
 221 /** Add option to set end time for trajectory reading. */
 222 #define PCA_CAN_END        (1<<7)
 223 /** Add option to set time step for trajectory reading. */
 224 #define PCA_CAN_DT         (1<<14)
 225 /** Add all options for trajectory time control. */
 226 #define PCA_CAN_TIME       (PCA_CAN_BEGIN | PCA_CAN_END | PCA_CAN_DT)
 227 /** Add option -tu to set time unit for output. */
 228 #define PCA_TIME_UNIT      (1<<15)
 229 /** Add option -deffnm to set default for all file options. */
 230 #define PCA_CAN_SET_DEFFNM (1<<10)
 231 /** Do not raise a fatal error when invalid options are encountered. */
 232 #define PCA_NOEXIT_ON_ARGS (1<<11)
 233 /** Is this node not reading: for parallel all nodes but the master */
 234 #define PCA_NOT_READ_NODE  (1<<16)
 235 /** Don't do any special processing for ffREAD files */
 236 #define PCA_DISABLE_INPUT_FILE_CHECKING (1<<17)
 237
 238 /*! \brief
 239  * Parse command-line arguments.
 240  *
 241  * Some common default arguments are also recognized in addition to those
 242  * provided through \p pa.  The set of recognized default arguments is affected
 243  * by \p Flags.
 244  *
 245  * Recognized arguments are removed from the list.
 246  *
 247  * For full functionality, this function needs to be used within a function
 248  * that is passed to gmx_run_cmain().  It should be called as the first thing in
 249  * that function.  Initialization code can be executed before it, but you need
 250  * to be aware that if the program is executed with -h and MPI, the code before
 251  * parse_common_args() only executes on the master node.
 252  *
 253  * If the return value is `FALSE`, the program should return immediately (this
 254  * is necessary for -h and a few other cases).
 255  *
 256  * \see gmx_run_cmain().
 257  */
 258 gmx_bool parse_common_args(int *argc, char *argv[], unsigned long Flags,
 259                            int nfile, t_filenm fnm[], int npargs, t_pargs *pa,
 260                            int ndesc, const char **desc,
 261                            int nbugs, const char **bugs,
 262                            output_env_t *oenv);
 263
 264 /*! \} */
 265
 266 #ifdef __cplusplus
 267 }
 268 #endif
 269
 270 #endif