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46 #include "gromacs/compat/string_view.h"
47 #include "gromacs/fileio/filetypes.h"
48 #include "gromacs/utility/basedefinitions.h"
49 #include "gromacs/utility/cstringutil.h"
50 #include "gromacs/utility/gmxassert.h"
51 #include "gromacs/utility/path.h"
52 #include "gromacs/utility/smalloc.h"
53 #include "gromacs/utility/stringutil.h"
56 static bool IS_SET(const t_filenm& fileOption)
58 return (fileOption.flag & ffSET) != 0;
61 static bool IS_OPT(const t_filenm& fileOption)
63 return (fileOption.flag & ffOPT) != 0;
66 static const t_filenm* getFileOption(const char* opt, int nfile, const t_filenm fnm[])
68 GMX_RELEASE_ASSERT(nfile == 0 || fnm, "need a valid list of filenames");
70 for (int i = 0; i < nfile; i++)
72 if ((fnm[i].opt != nullptr && strcmp(opt, fnm[i].opt) == 0)
73 || (fnm[i].opt == nullptr && strcmp(opt, ftp2defopt(fnm[i].ftp)) == 0))
82 const char* opt2fn(const char* opt, int nfile, const t_filenm fnm[])
84 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
88 return fileOption->filenames[0].c_str();
91 GMX_RELEASE_ASSERT(false, "opt2fn should be called with a valid option");
96 gmx::ArrayRef<const std::string> opt2fns(const char* opt, int nfile, const t_filenm fnm[])
98 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
102 return fileOption->filenames;
105 GMX_RELEASE_ASSERT(false, "opt2fns should be called with a valid option");
110 gmx::ArrayRef<const std::string> opt2fnsIfOptionSet(const char* opt, int nfile, const t_filenm fnm[])
112 if (opt2bSet(opt, nfile, fnm))
114 return opt2fns(opt, nfile, fnm);
122 const char* ftp2fn(int ftp, int nfile, const t_filenm fnm[])
126 for (i = 0; (i < nfile); i++)
128 if (ftp == fnm[i].ftp)
130 return fnm[i].filenames[0].c_str();
134 GMX_RELEASE_ASSERT(false, "ftp2fn should be called with a valid option");
139 gmx::ArrayRef<const std::string> ftp2fns(int ftp, int nfile, const t_filenm fnm[])
141 for (int i = 0; (i < nfile); i++)
143 if (ftp == fnm[i].ftp)
145 return fnm[i].filenames;
149 GMX_RELEASE_ASSERT(false, "ftp2fns should be called with a valid option");
154 gmx_bool ftp2bSet(int ftp, int nfile, const t_filenm fnm[])
158 for (i = 0; (i < nfile); i++)
160 if (ftp == fnm[i].ftp)
162 return static_cast<gmx_bool>(IS_SET(fnm[i]));
166 GMX_RELEASE_ASSERT(false, "ftp2bSet should be called with a valid option");
171 gmx_bool opt2bSet(const char* opt, int nfile, const t_filenm fnm[])
173 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
177 return static_cast<gmx_bool>(IS_SET(*fileOption));
180 GMX_RELEASE_ASSERT(false, "opt2bSet should be called with a valid option");
185 const char* opt2fn_null(const char* opt, int nfile, const t_filenm fnm[])
187 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
191 if (IS_OPT(*fileOption) && !IS_SET(*fileOption))
197 return fileOption->filenames[0].c_str();
201 GMX_RELEASE_ASSERT(false, "opt2fn_null should be called with a valid option");
206 const char* ftp2fn_null(int ftp, int nfile, const t_filenm fnm[])
210 for (i = 0; (i < nfile); i++)
212 if (ftp == fnm[i].ftp)
214 if (IS_OPT(fnm[i]) && !IS_SET(fnm[i]))
220 return fnm[i].filenames[0].c_str();
225 GMX_RELEASE_ASSERT(false, "ftp2fn_null should be called with a valid option");
230 gmx_bool is_optional(const t_filenm* fnm)
232 return ((fnm->flag & ffOPT) == ffOPT);
235 gmx_bool is_output(const t_filenm* fnm)
237 return ((fnm->flag & ffWRITE) == ffWRITE);
240 gmx_bool is_set(const t_filenm* fnm)
242 return ((fnm->flag & ffSET) == ffSET);
248 /*! \brief Return the first position within \c filename of the ".partNNNN"
249 * interior sequence produced by mdrun -noappend, or npos if not found. */
250 size_t findSuffixFromNoAppendPosition(const gmx::compat::string_view filename)
252 size_t partPosition = filename.find(".part");
253 if ((partPosition != decltype(filename)::npos) && (filename.length() - partPosition >= 10)
254 && (std::isdigit(filename[partPosition + 5])) && (std::isdigit(filename[partPosition + 6]))
255 && (std::isdigit(filename[partPosition + 7])) && (std::isdigit(filename[partPosition + 8]))
256 && filename[partPosition + 9] == '.')
260 return decltype(filename)::npos;
265 bool hasSuffixFromNoAppend(const gmx::compat::string_view filename)
267 return (findSuffixFromNoAppendPosition(filename) != decltype(filename)::npos);
270 int add_suffix_to_output_names(t_filenm* fnm, int nfile, const char* suffix)
272 for (int i = 0; i < nfile; i++)
274 if (is_output(&fnm[i]) && fnm[i].ftp != efCPT)
276 /* We never use multiple _outputs_, but we might as well check
277 for it, just in case... */
278 for (std::string& filename : fnm[i].filenames)
280 // mdrun should not generate files like
281 // md.part0002.part0003.log. mdrun should permit users
282 // to name files like md.equil.part0002.log. So,
283 // before we use Path::concatenateBeforeExtension to
284 // add the requested suffix, we need to check for
285 // files matching mdrun's pattern for adding part
286 // numbers. Then we can remove that if needed.
287 for (size_t partPosition;
288 (partPosition = findSuffixFromNoAppendPosition(filename)) != std::string::npos;)
290 // Remove the ".partNNNN" that we have found,
291 // and then run the loop again to make sure
292 // there isn't another one to remove, somehow.
293 std::string temporary = filename.substr(0, partPosition);
294 temporary += filename.substr(partPosition + 9);
295 filename.swap(temporary);
297 filename = gmx::Path::concatenateBeforeExtension(filename, suffix);