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39 * Declares \c t_pargs, parse_common_args() and related methods.
42 * \ingroup module_commandline
44 #ifndef GMX_COMMANDLINE_PARGS_H
45 #define GMX_COMMANDLINE_PARGS_H
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"
53 struct gmx_output_env_t;
60 /*! \addtogroup module_commandline
64 /** Command line argument type. */
67 etINT, etINT64, etREAL, etTIME, etSTR, etBOOL, etRVEC, etENUM, etNR
71 * Command-line argument definition for C code.
77 /** Name of the argument (with leading dash included). */
79 /** Whether the argument is set (should be initialized to `FALSE`). */
81 /** Type of the argument (one of the enums in pargs.h). */
84 * Pointer to variable that is to receive the value.
86 * The expected type depends on the value of \a type.
87 * If an argument is not set by the user, then the pointed value is not
88 * changed. In other words, the initial value for the variable defines the
94 * Generic pointer for operations that do not need type information.
96 * Needs to be the first member to use initialized arrays.
99 /** Integer value for etINT. */
101 /** Integer value for etINT64. */
103 /** Real value for etREAL and etTIME. */
106 * String value for etSTR and etENUM.
108 * For etSTR, this should point to a `const char *` variable, which
109 * will receive a pointer to the string value (caller should not free
112 * For etENUM, this should be an array of `const char *` values, where
113 * the first and last values are `NULL`, and the other values define
114 * the allowed enum values. The first non-NULL value is the default
115 * value. After the arguments are parsed, the first element in the array
116 * points to the selected enum value (pointers will be equal).
119 /** Boolean value for etBOOL. */
121 /** Vector value for etRVEC. */
125 * Description for the argument.
127 * If the string starts with `HIDDEN`, then the argument is hidden from
128 * normal help listing and shell completions.
134 * Returns ordinal number for an etENUM argument.
136 * \param[in] enumc Array passed to `t_pargs` for an etENUM argument.
137 * \returns Index of selected enum value in the array.
139 * See t_pargs::u::c for the expected format of the array, including how the
140 * first element should be initialized.
141 * Note that the return value starts at one instead of zero: if the first enum
142 * value is selected, this returns 1.
144 int nenum(const char *const enumc[]);
147 * Returns value of an etINT option.
149 * \param[in] option Name of etINT argument to query.
150 * \param[in] nparg Number of elements in \p pa.
151 * \param[in] pa Array of arguments.
152 * \returns Value of \p option.
154 * \p option must specify a valid argument in \p pa of the correct type.
156 int opt2parg_int(const char *option, int nparg, t_pargs pa[]);
159 * Returns value of an etBOOL option.
161 * \param[in] option Name of etBOOL argument to query.
162 * \param[in] nparg Number of elements in \p pa.
163 * \param[in] pa Array of arguments.
164 * \returns Value of \p option.
166 * \p option must specify a valid argument in \p pa of the correct type.
168 gmx_bool opt2parg_bool(const char *option, int nparg, t_pargs pa[]);
171 * Returns value of an etREAL/etTIME option.
173 * \param[in] option Name of etREAL/etTIME argument to query.
174 * \param[in] nparg Number of elements in \p pa.
175 * \param[in] pa Array of arguments.
176 * \returns Value of \p option.
178 * \p option must specify a valid argument in \p pa of the correct type.
180 real opt2parg_real(const char *option, int nparg, t_pargs pa[]);
183 * Returns value of an etSTR option.
185 * \param[in] option Name of etSTR argument to query.
186 * \param[in] nparg Number of elements in \p pa.
187 * \param[in] pa Array of arguments.
188 * \returns Value of \p option.
190 * \p option must specify a valid argument in \p pa of the correct type.
192 const char *opt2parg_str(const char *option, int nparg, t_pargs pa[]);
195 * Returns value of an etENUM option.
197 * \param[in] option Name of etENUM argument to query.
198 * \param[in] nparg Number of elements in \p pa.
199 * \param[in] pa Array of arguments.
200 * \returns Value of \p option.
202 * \p option must specify a valid argument in \p pa of the correct type.
204 const char *opt2parg_enum(const char *option, int nparg, t_pargs pa[]);
207 * Returns whether an argument has been set.
209 * \param[in] option Name of argument to check.
210 * \param[in] nparg Number of elements in \p pa.
211 * \param[in] pa Array of arguments.
212 * \returns `true` if \p option has been set.
214 * \p option must specify a valid argument in \p pa.
216 gmx_bool opt2parg_bSet(const char *option, int nparg, const t_pargs *pa);
219 /** Add option -w to view output files (must be implemented in program). */
220 #define PCA_CAN_VIEW (1<<5)
221 /** Add option to set begin time for trajectory reading. */
222 #define PCA_CAN_BEGIN (1<<6)
223 /** Add option to set end time for trajectory reading. */
224 #define PCA_CAN_END (1<<7)
225 /** Add option to set time step for trajectory reading. */
226 #define PCA_CAN_DT (1<<14)
227 /** Add all options for trajectory time control. */
228 #define PCA_CAN_TIME (PCA_CAN_BEGIN | PCA_CAN_END | PCA_CAN_DT)
229 /** Add option -tu to set time unit for output. */
230 #define PCA_TIME_UNIT (1<<15)
231 /** Add option -deffnm to set default for all file options. */
232 #define PCA_CAN_SET_DEFFNM (1<<10)
233 /** Do not raise a fatal error when invalid options are encountered. */
234 #define PCA_NOEXIT_ON_ARGS (1<<11)
235 /** Don't do any special processing for ffREAD files */
236 #define PCA_DISABLE_INPUT_FILE_CHECKING (1<<17)
239 * Parse command-line arguments.
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
245 * Recognized arguments are removed from the list.
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.
253 * If the return value is `FALSE`, the program should return immediately (this
254 * is necessary for -h and a few other cases).
256 * \see gmx_run_cmain().
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 gmx_output_env_t **oenv);