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/commandline/filenm.h"
  48 #include "gromacs/fileio/oenv.h"
  49 #include "gromacs/math/vectypes.h"
  50 #include "gromacs/utility/basedefinitions.h"
  51 #include "gromacs/utility/real.h"
  52
  53 struct gmx_output_env_t;
  54
  55 /*! \addtogroup module_commandline
  56  * \{
  57  */
  58
  59 /** Command line argument type. */
  60 enum
  61 {
  62     etINT, etINT64, etREAL, etTIME, etSTR, etBOOL, etRVEC, etENUM, etNR
  63 };
  64
  65 /*! \brief
  66  * Command-line argument definition for C code.
  67  *
  68  * \inpublicapi
  69  */
  70 typedef struct
  71 {
  72     /** Name of the argument (with leading dash included). */
  73     const char *option;
  74     /** Whether the argument is set (should be initialized to `FALSE`). */
  75     gmx_bool    bSet;
  76     /** Type of the argument (one of the enums in pargs.h). */
  77     int         type;
  78     /*! \brief
  79      * Pointer to variable that is to receive the value.
  80      *
  81      * The expected type depends on the value of \a type.
  82      * If an argument is not set by the user, then the pointed value is not
  83      * changed.  In other words, the initial value for the variable defines the
  84      * default value.
  85      */
  86     union
  87     {
  88         /*! \brief
  89          * Generic pointer for operations that do not need type information.
  90          *
  91          * Needs to be the first member to use initialized arrays.
  92          */
  93         void            *v;
  94         /** Integer value for etINT. */
  95         int             *i;
  96         /** Integer value for etINT64. */
  97         int64_t         *is;
  98         /** Real value for etREAL and etTIME. */
  99         real            *r;
 100         /*! \brief
 101          * String value for etSTR and etENUM.
 102          *
 103          * For etSTR, this should point to a `const char *` variable, which
 104          * will receive a pointer to the string value (caller should not free
 105          * the string).
 106          *
 107          * For etENUM, this should be an array of `const char *` values, where
 108          * the first and last values are `NULL`, and the other values define
 109          * the allowed enum values.  The first non-NULL value is the default
 110          * value.  After the arguments are parsed, the first element in the array
 111          * points to the selected enum value (pointers will be equal).
 112          */
 113         const char     **c;
 114         /** Boolean value for etBOOL. */
 115         gmx_bool        *b;
 116         /** Vector value for etRVEC. */
 117         rvec            *rv;
 118     }           u;
 119     /*! \brief
 120      * Description for the argument.
 121      *
 122      * If the string starts with `HIDDEN`, then the argument is hidden from
 123      * normal help listing and shell completions.
 124      */
 125     const char *desc;
 126 } t_pargs;
 127
 128 /*! \brief
 129  * Returns ordinal number for an etENUM argument.
 130  *
 131  * \param[in] enumc  Array passed to `t_pargs` for an etENUM argument.
 132  * \returns   Index of selected enum value in the array.
 133  *
 134  * See t_pargs::u::c for the expected format of the array, including how the
 135  * first element should be initialized.
 136  * Note that the return value starts at one instead of zero: if the first enum
 137  * value is selected, this returns 1.
 138  */
 139 int nenum(const char *const enumc[]);
 140
 141 /*! \brief
 142  * Returns value of an etINT option.
 143  *
 144  * \param[in] option Name of etINT argument to query.
 145  * \param[in] nparg  Number of elements in \p pa.
 146  * \param[in] pa     Array of arguments.
 147  * \returns   Value of \p option.
 148  *
 149  * \p option must specify a valid argument in \p pa of the correct type.
 150  */
 151 int opt2parg_int(const char *option, int nparg, t_pargs pa[]);
 152
 153 /*! \brief
 154  * Returns value of an etBOOL option.
 155  *
 156  * \param[in] option Name of etBOOL argument to query.
 157  * \param[in] nparg  Number of elements in \p pa.
 158  * \param[in] pa     Array of arguments.
 159  * \returns   Value of \p option.
 160  *
 161  * \p option must specify a valid argument in \p pa of the correct type.
 162  */
 163 gmx_bool opt2parg_bool(const char *option, int nparg, t_pargs pa[]);
 164
 165 /*! \brief
 166  * Returns value of an etREAL/etTIME option.
 167  *
 168  * \param[in] option Name of etREAL/etTIME argument to query.
 169  * \param[in] nparg  Number of elements in \p pa.
 170  * \param[in] pa     Array of arguments.
 171  * \returns   Value of \p option.
 172  *
 173  * \p option must specify a valid argument in \p pa of the correct type.
 174  */
 175 real opt2parg_real(const char *option, int nparg, t_pargs pa[]);
 176
 177 /*! \brief
 178  * Returns value of an etSTR option.
 179  *
 180  * \param[in] option Name of etSTR argument to query.
 181  * \param[in] nparg  Number of elements in \p pa.
 182  * \param[in] pa     Array of arguments.
 183  * \returns   Value of \p option.
 184  *
 185  * \p option must specify a valid argument in \p pa of the correct type.
 186  */
 187 const char *opt2parg_str(const char *option, int nparg, t_pargs pa[]);
 188
 189 /*! \brief
 190  * Returns value of an etENUM option.
 191  *
 192  * \param[in] option Name of etENUM argument to query.
 193  * \param[in] nparg  Number of elements in \p pa.
 194  * \param[in] pa     Array of arguments.
 195  * \returns   Value of \p option.
 196  *
 197  * \p option must specify a valid argument in \p pa of the correct type.
 198  */
 199 const char *opt2parg_enum(const char *option, int nparg, t_pargs pa[]);
 200
 201 /*! \brief
 202  * Returns whether an argument has been set.
 203  *
 204  * \param[in] option Name of argument to check.
 205  * \param[in] nparg  Number of elements in \p pa.
 206  * \param[in] pa     Array of arguments.
 207  * \returns   `true` if \p option has been set.
 208  *
 209  * \p option must specify a valid argument in \p pa.
 210  */
 211 gmx_bool opt2parg_bSet(const char *option, int nparg, const t_pargs *pa);
 212
 213
 214 /** Add option -w to view output files (must be implemented in program). */
 215 #define PCA_CAN_VIEW       (1<<5)
 216 /** Add option to set begin time for trajectory reading. */
 217 #define PCA_CAN_BEGIN      (1<<6)
 218 /** Add option to set end time for trajectory reading. */
 219 #define PCA_CAN_END        (1<<7)
 220 /** Add option to set time step for trajectory reading. */
 221 #define PCA_CAN_DT         (1<<14)
 222 /** Add all options for trajectory time control. */
 223 #define PCA_CAN_TIME       (PCA_CAN_BEGIN | PCA_CAN_END | PCA_CAN_DT)
 224 /** Add option -tu to set time unit for output. */
 225 #define PCA_TIME_UNIT      (1<<15)
 226 /** Add option -deffnm to set default for all file options. */
 227 #define PCA_CAN_SET_DEFFNM (1<<10)
 228 /** Do not raise a fatal error when invalid options are encountered. */
 229 #define PCA_NOEXIT_ON_ARGS (1<<11)
 230 /** Don't do any special processing for ffREAD files */
 231 #define PCA_DISABLE_INPUT_FILE_CHECKING (1<<17)
 232
 233 /*! \brief
 234  * Parse command-line arguments.
 235  *
 236  * Some common default arguments are also recognized in addition to those
 237  * provided through \p pa.  The set of recognized default arguments is affected
 238  * by \p Flags.
 239  *
 240  * Recognized arguments are removed from the list.
 241  *
 242  * For full functionality, this function needs to be used within a function
 243  * that is passed to gmx_run_cmain().  It should be called as the first thing in
 244  * that function.  Initialization code can be executed before it, but you need
 245  * to be aware that if the program is executed with -h and MPI, the code before
 246  * parse_common_args() only executes on the master node.
 247  *
 248  * If the return value is `FALSE`, the program should return immediately (this
 249  * is necessary for -h and a few other cases).
 250  *
 251  * \see gmx_run_cmain().
 252  */
 253 gmx_bool parse_common_args(int *argc, char *argv[], unsigned long Flags,
 254                            int nfile, t_filenm fnm[], int npargs, t_pargs *pa,
 255                            int ndesc, const char **desc,
 256                            int nbugs, const char **bugs,
 257                            gmx_output_env_t **oenv);
 258
 259 /*! \} */
 260
 261 #endif