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45 #include "gromacs/compat/string_view.h"
46 #include "gromacs/fileio/filetypes.h"
47 #include "gromacs/utility/basedefinitions.h"
48 #include "gromacs/utility/cstringutil.h"
49 #include "gromacs/utility/gmxassert.h"
50 #include "gromacs/utility/path.h"
51 #include "gromacs/utility/smalloc.h"
52 #include "gromacs/utility/stringutil.h"
55 static bool IS_SET(const t_filenm& fileOption)
57 return (fileOption.flag & ffSET) != 0;
60 static bool IS_OPT(const t_filenm& fileOption)
62 return (fileOption.flag & ffOPT) != 0;
65 static const t_filenm* getFileOption(const char* opt, int nfile, const t_filenm fnm[])
67 GMX_RELEASE_ASSERT(nfile == 0 || fnm, "need a valid list of filenames");
69 for (int i = 0; i < nfile; i++)
71 if ((fnm[i].opt != nullptr && strcmp(opt, fnm[i].opt) == 0)
72 || (fnm[i].opt == nullptr && strcmp(opt, ftp2defopt(fnm[i].ftp)) == 0))
81 const char* opt2fn(const char* opt, int nfile, const t_filenm fnm[])
83 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
87 return fileOption->filenames[0].c_str();
90 GMX_RELEASE_ASSERT(false, "opt2fn should be called with a valid option");
95 gmx::ArrayRef<const std::string> opt2fns(const char* opt, int nfile, const t_filenm fnm[])
97 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
101 return fileOption->filenames;
104 GMX_RELEASE_ASSERT(false, "opt2fns should be called with a valid option");
109 gmx::ArrayRef<const std::string> opt2fnsIfOptionSet(const char* opt, int nfile, const t_filenm fnm[])
111 if (opt2bSet(opt, nfile, fnm))
113 return opt2fns(opt, nfile, fnm);
121 const char* ftp2fn(int ftp, int nfile, const t_filenm fnm[])
125 for (i = 0; (i < nfile); i++)
127 if (ftp == fnm[i].ftp)
129 return fnm[i].filenames[0].c_str();
133 GMX_RELEASE_ASSERT(false, "ftp2fn should be called with a valid option");
138 gmx::ArrayRef<const std::string> ftp2fns(int ftp, int nfile, const t_filenm fnm[])
140 for (int i = 0; (i < nfile); i++)
142 if (ftp == fnm[i].ftp)
144 return fnm[i].filenames;
148 GMX_RELEASE_ASSERT(false, "ftp2fns should be called with a valid option");
153 gmx_bool ftp2bSet(int ftp, int nfile, const t_filenm fnm[])
157 for (i = 0; (i < nfile); i++)
159 if (ftp == fnm[i].ftp)
161 return static_cast<gmx_bool>(IS_SET(fnm[i]));
165 GMX_RELEASE_ASSERT(false, "ftp2bSet should be called with a valid option");
170 gmx_bool opt2bSet(const char* opt, int nfile, const t_filenm fnm[])
172 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
176 return static_cast<gmx_bool>(IS_SET(*fileOption));
179 GMX_RELEASE_ASSERT(false, "opt2bSet should be called with a valid option");
184 const char* opt2fn_null(const char* opt, int nfile, const t_filenm fnm[])
186 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
190 if (IS_OPT(*fileOption) && !IS_SET(*fileOption))
196 return fileOption->filenames[0].c_str();
200 GMX_RELEASE_ASSERT(false, "opt2fn_null should be called with a valid option");
205 const char* ftp2fn_null(int ftp, int nfile, const t_filenm fnm[])
209 for (i = 0; (i < nfile); i++)
211 if (ftp == fnm[i].ftp)
213 if (IS_OPT(fnm[i]) && !IS_SET(fnm[i]))
219 return fnm[i].filenames[0].c_str();
224 GMX_RELEASE_ASSERT(false, "ftp2fn_null should be called with a valid option");
229 gmx_bool is_optional(const t_filenm* fnm)
231 return ((fnm->flag & ffOPT) == ffOPT);
234 gmx_bool is_output(const t_filenm* fnm)
236 return ((fnm->flag & ffWRITE) == ffWRITE);
239 gmx_bool is_set(const t_filenm* fnm)
241 return ((fnm->flag & ffSET) == ffSET);
247 /*! \brief Return the first position within \c filename of the ".partNNNN"
248 * interior sequence produced by mdrun -noappend, or npos if not found. */
249 size_t findSuffixFromNoAppendPosition(const gmx::compat::string_view filename)
251 size_t partPosition = filename.find(".part");
252 if ((partPosition != decltype(filename)::npos) && (filename.length() - partPosition >= 10)
253 && (std::isdigit(filename[partPosition + 5])) && (std::isdigit(filename[partPosition + 6]))
254 && (std::isdigit(filename[partPosition + 7])) && (std::isdigit(filename[partPosition + 8]))
255 && filename[partPosition + 9] == '.')
259 return decltype(filename)::npos;
264 bool hasSuffixFromNoAppend(const gmx::compat::string_view filename)
266 return (findSuffixFromNoAppendPosition(filename) != decltype(filename)::npos);
269 int add_suffix_to_output_names(t_filenm* fnm, int nfile, const char* suffix)
271 for (int i = 0; i < nfile; i++)
273 if (is_output(&fnm[i]) && fnm[i].ftp != efCPT)
275 /* We never use multiple _outputs_, but we might as well check
276 for it, just in case... */
277 for (std::string& filename : fnm[i].filenames)
279 // mdrun should not generate files like
280 // md.part0002.part0003.log. mdrun should permit users
281 // to name files like md.equil.part0002.log. So,
282 // before we use Path::concatenateBeforeExtension to
283 // add the requested suffix, we need to check for
284 // files matching mdrun's pattern for adding part
285 // numbers. Then we can remove that if needed.
286 for (size_t partPosition;
287 (partPosition = findSuffixFromNoAppendPosition(filename)) != std::string::npos;)
289 // Remove the ".partNNNN" that we have found,
290 // and then run the loop again to make sure
291 // there isn't another one to remove, somehow.
292 std::string temporary = filename.substr(0, partPosition);
293 temporary += filename.substr(partPosition + 9);
294 filename.swap(temporary);
296 filename = gmx::Path::concatenateBeforeExtension(filename, suffix);