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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;
55 /*! \addtogroup module_commandline
59 /** Command line argument type. */
74 * Command-line argument definition for C code.
80 /** Name of the argument (with leading dash included). */
82 /** Whether the argument is set (should be initialized to `FALSE`). */
84 /** Type of the argument (one of the enums in pargs.h). */
87 * Pointer to variable that is to receive the value.
89 * The expected type depends on the value of \a type.
90 * If an argument is not set by the user, then the pointed value is not
91 * changed. In other words, the initial value for the variable defines the
96 * Generic pointer for operations that do not need type information.
98 * Needs to be the first member to use initialized arrays.
101 /** Integer value for etINT. */
103 /** Integer value for etINT64. */
105 /** Real value for etREAL and etTIME. */
108 * String value for etSTR and etENUM.
110 * For etSTR, this should point to a `const char *` variable, which
111 * will receive a pointer to the string value (caller should not free
114 * For etENUM, this should be an array of `const char *` values, where
115 * the first and last values are `NULL`, and the other values define
116 * the allowed enum values. The first non-NULL value is the default
117 * value. After the arguments are parsed, the first element in the array
118 * points to the selected enum value (pointers will be equal).
121 /** Boolean value for etBOOL. */
123 /** Vector value for etRVEC. */
127 * Description for the argument.
129 * If the string starts with `HIDDEN`, then the argument is hidden from
130 * normal help listing and shell completions.
136 * Returns ordinal number for an etENUM argument.
138 * \param[in] enumc Array passed to `t_pargs` for an etENUM argument.
139 * \returns Index of selected enum value in the array.
141 * See t_pargs::u::c for the expected format of the array, including how the
142 * first element should be initialized.
143 * Note that the return value starts at one instead of zero: if the first enum
144 * value is selected, this returns 1.
146 int nenum(const char* const enumc[]);
149 * Returns value of an etINT option.
151 * \param[in] option Name of etINT argument to query.
152 * \param[in] nparg Number of elements in \p pa.
153 * \param[in] pa Array of arguments.
154 * \returns Value of \p option.
156 * \p option must specify a valid argument in \p pa of the correct type.
158 int opt2parg_int(const char* option, int nparg, t_pargs pa[]);
161 * Returns value of an etBOOL option.
163 * \param[in] option Name of etBOOL argument to query.
164 * \param[in] nparg Number of elements in \p pa.
165 * \param[in] pa Array of arguments.
166 * \returns Value of \p option.
168 * \p option must specify a valid argument in \p pa of the correct type.
170 gmx_bool opt2parg_bool(const char* option, int nparg, t_pargs pa[]);
173 * Returns value of an etREAL/etTIME option.
175 * \param[in] option Name of etREAL/etTIME argument to query.
176 * \param[in] nparg Number of elements in \p pa.
177 * \param[in] pa Array of arguments.
178 * \returns Value of \p option.
180 * \p option must specify a valid argument in \p pa of the correct type.
182 real opt2parg_real(const char* option, int nparg, t_pargs pa[]);
185 * Returns value of an etSTR option.
187 * \param[in] option Name of etSTR argument to query.
188 * \param[in] nparg Number of elements in \p pa.
189 * \param[in] pa Array of arguments.
190 * \returns Value of \p option.
192 * \p option must specify a valid argument in \p pa of the correct type.
194 const char* opt2parg_str(const char* option, int nparg, t_pargs pa[]);
197 * Returns value of an etENUM option.
199 * \param[in] option Name of etENUM argument to query.
200 * \param[in] nparg Number of elements in \p pa.
201 * \param[in] pa Array of arguments.
202 * \returns Value of \p option.
204 * \p option must specify a valid argument in \p pa of the correct type.
206 const char* opt2parg_enum(const char* option, int nparg, t_pargs pa[]);
209 * Returns whether an argument has been set.
211 * \param[in] option Name of argument to check.
212 * \param[in] nparg Number of elements in \p pa.
213 * \param[in] pa Array of arguments.
214 * \returns `true` if \p option has been set.
216 * \p option must specify a valid argument in \p pa.
218 gmx_bool opt2parg_bSet(const char* option, int nparg, const t_pargs* pa);
221 /** Add option -w to view output files (must be implemented in program). */
222 #define PCA_CAN_VIEW (1 << 5)
223 /** Add option to set begin time for trajectory reading. */
224 #define PCA_CAN_BEGIN (1 << 6)
225 /** Add option to set end time for trajectory reading. */
226 #define PCA_CAN_END (1 << 7)
227 /** Add option to set time step for trajectory reading. */
228 #define PCA_CAN_DT (1 << 14)
229 /** Add all options for trajectory time control. */
230 #define PCA_CAN_TIME (PCA_CAN_BEGIN | PCA_CAN_END | PCA_CAN_DT)
231 /** Add option -tu to set time unit for output. */
232 #define PCA_TIME_UNIT (1 << 15)
233 /** Add option -deffnm to set default for all file options. */
234 #define PCA_CAN_SET_DEFFNM (1 << 10)
235 /** Do not raise a fatal error when invalid options are encountered. */
236 #define PCA_NOEXIT_ON_ARGS (1 << 11)
237 /** Don't do any special processing for ffREAD files */
238 #define PCA_DISABLE_INPUT_FILE_CHECKING (1 << 17)
241 * Parse command-line arguments.
243 * Some common default arguments are also recognized in addition to those
244 * provided through \p pa. The set of recognized default arguments is affected
247 * Recognized arguments are removed from the list.
249 * For full functionality, this function needs to be used within a function
250 * that is passed to gmx_run_cmain(). It should be called as the first thing in
251 * that function. Initialization code can be executed before it, but you need
252 * to be aware that if the program is executed with -h and MPI, the code before
253 * parse_common_args() only executes on the master node.
255 * If the return value is `FALSE`, the program should return immediately (this
256 * is necessary for -h and a few other cases).
258 * \see gmx_run_cmain().
260 gmx_bool parse_common_args(int* argc,
271 gmx_output_env_t** oenv);