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40 * Declares t_filenm for old-style command-line parsing of file name options.
43 * \ingroup module_commandline
45 #ifndef GMX_COMMANDLINE_FILENM_H
46 #define GMX_COMMANDLINE_FILENM_H
49 #include <string_view>
52 #include "gromacs/fileio/filetypes.h"
55 //! \addtogroup module_commandline
65 * File name option definition for C code.
71 int ftp; //!< File type, see enum in filetypes.h
72 const char* opt; //!< Command line option, can be nullptr in which case the commandline module, including all opt2??? functions below, will use the default option for the file type
73 const char* fn; //!< File name (as set in source code), can be nullptr in which case the commandline module will use the default file name for the file type
74 unsigned long flag; //!< Flag for all kinds of info (see defs)
75 std::vector<std::string> filenames; //!< File names
78 //! Whether a file name option is set.
80 //! Whether a file name option specifies an input file.
82 //! Whether a file name option specifies an output file.
83 #define ffWRITE 1 << 2
84 //! Whether a file name option specifies an optional file.
86 //! Whether a file name option specifies a library file.
88 //! Whether a file name option accepts multiple file names.
90 //! Whether an input file name option accepts non-existent files.
91 #define ffALLOW_MISSING 1 << 6
92 //! Convenience flag for an input/output file.
93 #define ffRW (ffREAD | ffWRITE)
94 //! Convenience flag for an optional input file.
95 #define ffOPTRD (ffREAD | ffOPT)
96 //! Convenience flag for an optional output file.
97 #define ffOPTWR (ffWRITE | ffOPT)
98 //! Convenience flag for an optional input/output file.
99 #define ffOPTRW (ffRW | ffOPT)
100 //! Convenience flag for a library input file.
101 #define ffLIBRD (ffREAD | ffLIB)
102 //! Convenience flag for an optional library input file.
103 #define ffLIBOPTRD (ffOPTRD | ffLIB)
104 //! Convenience flag for an input file that accepts multiple files.
105 #define ffRDMULT (ffREAD | ffMULT)
106 //! Convenience flag for an optional input file that accepts multiple files.
107 #define ffOPTRDMULT (ffRDMULT | ffOPT)
108 //! Convenience flag for an output file that accepts multiple files.
109 #define ffWRMULT (ffWRITE | ffMULT)
110 //! Convenience flag for an optional output file that accepts multiple files.
111 #define ffOPTWRMULT (ffWRMULT | ffOPT)
114 * Returns the filename belonging to cmd-line option opt, or NULL when
117 const char* opt2fn(const char* opt, int nfile, const t_filenm fnm[]);
120 * Returns the filenames belonging to cmd-line option opt.
122 * An assertion will fail when the option does not exist.
124 gmx::ArrayRef<const std::string> opt2fns(const char* opt, int nfile, const t_filenm fnm[]);
127 * Returns the filenames belonging to cmd-line option opt when set,
128 * returns an empty vector when the option is not set.
130 * An assertion will fail when the option does not exist.
132 gmx::ArrayRef<const std::string> opt2fnsIfOptionSet(const char* opt, int nfile, const t_filenm fnm[]);
134 //! Returns a file pointer from the filename.
135 #define opt2FILE(opt, nfile, fnm, mode) gmx_ffopen(opt2fn(opt, nfile, fnm), mode)
137 //! Returns the first file name with type ftp, or NULL when none found.
138 const char* ftp2fn(int ftp, int nfile, const t_filenm fnm[]);
141 * Returns the filenames for the first option with type ftp.
143 * An assertion will fail when when none found.
145 gmx::ArrayRef<const std::string> ftp2fns(int ftp, int nfile, const t_filenm fnm[]);
147 //! Returns a file pointer from the file type.
148 #define ftp2FILE(ftp, nfile, fnm, mode) gmx_ffopen(ftp2fn(ftp, nfile, fnm), mode)
150 //! Returns TRUE when this file type has been found on the cmd-line.
151 bool ftp2bSet(int ftp, int nfile, const t_filenm fnm[]);
153 //! Returns TRUE when this option has been found on the cmd-line.
154 bool opt2bSet(const char* opt, int nfile, const t_filenm fnm[]);
157 * Returns the file name belonging top cmd-line option opt, or NULL when
160 * Also return NULL when opt is optional and option is not set.
162 const char* opt2fn_null(const char* opt, int nfile, const t_filenm fnm[]);
165 * Returns the first file name with type ftp, or NULL when none found.
167 * Also return NULL when ftp is optional and option is not set.
169 const char* ftp2fn_null(int ftp, int nfile, const t_filenm fnm[]);
171 //! Returns whether or not this filenm is optional.
172 bool is_optional(const t_filenm* fnm);
174 //! Returns whether or not this filenm is output.
175 bool is_output(const t_filenm* fnm);
177 //! Returns whether or not this filenm is set.
178 bool is_set(const t_filenm* fnm);
180 /*! \brief Return whether \c filename might have been produced by mdrun -noappend.
182 * If so, it must match "prefix.partNNNN.extension", for four decimal
183 * digits N and non-empty prefix and extension. */
184 bool hasSuffixFromNoAppend(std::string_view filename);
187 * When we do checkpointing, this routine is called to check for previous
188 * output files and append a '.partNNNN' suffix before the (output) file extensions.
189 * If there was already a '.partNNNN' suffix before the file extension, that
190 * is removed before the new suffix is added.
192 int add_suffix_to_output_names(t_filenm* fnm, int nfile, const char* suffix);