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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
51 #include "gromacs/compat/string_view.h"
52 #include "gromacs/fileio/filetypes.h"
53 #include "gromacs/utility/arrayref.h"
54 #include "gromacs/utility/basedefinitions.h"
57 //! \addtogroup module_commandline
61 * File name option definition for C code.
67 int ftp; //!< File type, see enum in filetypes.h
68 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
69 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
70 unsigned long flag; //!< Flag for all kinds of info (see defs)
71 std::vector<std::string> filenames; //!< File names
74 //! Whether a file name option is set.
76 //! Whether a file name option specifies an input file.
78 //! Whether a file name option specifies an output file.
79 #define ffWRITE 1 << 2
80 //! Whether a file name option specifies an optional file.
82 //! Whether a file name option specifies a library file.
84 //! Whether a file name option accepts multiple file names.
86 //! Whether an input file name option accepts non-existent files.
87 #define ffALLOW_MISSING 1 << 6
88 //! Convenience flag for an input/output file.
89 #define ffRW (ffREAD | ffWRITE)
90 //! Convenience flag for an optional input file.
91 #define ffOPTRD (ffREAD | ffOPT)
92 //! Convenience flag for an optional output file.
93 #define ffOPTWR (ffWRITE | ffOPT)
94 //! Convenience flag for an optional input/output file.
95 #define ffOPTRW (ffRW | ffOPT)
96 //! Convenience flag for a library input file.
97 #define ffLIBRD (ffREAD | ffLIB)
98 //! Convenience flag for an optional library input file.
99 #define ffLIBOPTRD (ffOPTRD | ffLIB)
100 //! Convenience flag for an input file that accepts multiple files.
101 #define ffRDMULT (ffREAD | ffMULT)
102 //! Convenience flag for an optional input file that accepts multiple files.
103 #define ffOPTRDMULT (ffRDMULT | ffOPT)
104 //! Convenience flag for an output file that accepts multiple files.
105 #define ffWRMULT (ffWRITE | ffMULT)
106 //! Convenience flag for an optional output file that accepts multiple files.
107 #define ffOPTWRMULT (ffWRMULT | ffOPT)
110 * Returns the filename belonging to cmd-line option opt, or NULL when
113 const char* opt2fn(const char* opt, int nfile, const t_filenm fnm[]);
116 * Returns the filenames belonging to cmd-line option opt.
118 * An assertion will fail when the option does not exist.
120 gmx::ArrayRef<const std::string> opt2fns(const char* opt, int nfile, const t_filenm fnm[]);
123 * Returns the filenames belonging to cmd-line option opt when set,
124 * returns an empty vector when the option is not set.
126 * An assertion will fail when the option does not exist.
128 gmx::ArrayRef<const std::string> opt2fnsIfOptionSet(const char* opt, int nfile, const t_filenm fnm[]);
130 //! Returns a file pointer from the filename.
131 #define opt2FILE(opt, nfile, fnm, mode) gmx_ffopen(opt2fn(opt, nfile, fnm), mode)
133 //! Returns the first file name with type ftp, or NULL when none found.
134 const char* ftp2fn(int ftp, int nfile, const t_filenm fnm[]);
137 * Returns the filenames for the first option with type ftp.
139 * An assertion will fail when when none found.
141 gmx::ArrayRef<const std::string> ftp2fns(int ftp, int nfile, const t_filenm fnm[]);
143 //! Returns a file pointer from the file type.
144 #define ftp2FILE(ftp, nfile, fnm, mode) gmx_ffopen(ftp2fn(ftp, nfile, fnm), mode)
146 //! Returns TRUE when this file type has been found on the cmd-line.
147 gmx_bool ftp2bSet(int ftp, int nfile, const t_filenm fnm[]);
149 //! Returns TRUE when this option has been found on the cmd-line.
150 gmx_bool opt2bSet(const char* opt, int nfile, const t_filenm fnm[]);
153 * Returns the file name belonging top cmd-line option opt, or NULL when
156 * Also return NULL when opt is optional and option is not set.
158 const char* opt2fn_null(const char* opt, int nfile, const t_filenm fnm[]);
161 * Returns the first file name with type ftp, or NULL when none found.
163 * Also return NULL when ftp is optional and option is not set.
165 const char* ftp2fn_null(int ftp, int nfile, const t_filenm fnm[]);
167 //! Returns whether or not this filenm is optional.
168 gmx_bool is_optional(const t_filenm* fnm);
170 //! Returns whether or not this filenm is output.
171 gmx_bool is_output(const t_filenm* fnm);
173 //! Returns whether or not this filenm is set.
174 gmx_bool is_set(const t_filenm* fnm);
176 /*! \brief Return whether \c filename might have been produced by mdrun -noappend.
178 * If so, it must match "prefix.partNNNN.extension", for four decimal
179 * digits N and non-empty prefix and extension. */
180 bool hasSuffixFromNoAppend(gmx::compat::string_view filename);
183 * When we do checkpointing, this routine is called to check for previous
184 * output files and append a '.partNNNN' suffix before the (output) file extensions.
185 * If there was already a '.partNNNN' suffix before the file extension, that
186 * is removed before the new suffix is added.
188 int add_suffix_to_output_names(t_filenm* fnm, int nfile, const char* suffix);