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46 #include <string_view>
48 #include "gromacs/fileio/filetypes.h"
49 #include "gromacs/utility/basedefinitions.h"
50 #include "gromacs/utility/cstringutil.h"
51 #include "gromacs/utility/gmxassert.h"
52 #include "gromacs/utility/path.h"
53 #include "gromacs/utility/smalloc.h"
54 #include "gromacs/utility/stringutil.h"
57 static bool IS_SET(const t_filenm& fileOption)
59 return (fileOption.flag & ffSET) != 0;
62 static bool IS_OPT(const t_filenm& fileOption)
64 return (fileOption.flag & ffOPT) != 0;
67 static const t_filenm* getFileOption(const char* opt, int nfile, const t_filenm fnm[])
69 GMX_RELEASE_ASSERT(nfile == 0 || fnm, "need a valid list of filenames");
71 for (int i = 0; i < nfile; i++)
73 if ((fnm[i].opt != nullptr && strcmp(opt, fnm[i].opt) == 0)
74 || (fnm[i].opt == nullptr && strcmp(opt, ftp2defopt(fnm[i].ftp)) == 0))
83 const char* opt2fn(const char* opt, int nfile, const t_filenm fnm[])
85 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
89 return fileOption->filenames[0].c_str();
92 GMX_RELEASE_ASSERT(false, "opt2fn should be called with a valid option");
97 gmx::ArrayRef<const std::string> opt2fns(const char* opt, int nfile, const t_filenm fnm[])
99 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
103 return fileOption->filenames;
106 GMX_RELEASE_ASSERT(false, "opt2fns should be called with a valid option");
111 gmx::ArrayRef<const std::string> opt2fnsIfOptionSet(const char* opt, int nfile, const t_filenm fnm[])
113 if (opt2bSet(opt, nfile, fnm))
115 return opt2fns(opt, nfile, fnm);
123 const char* ftp2fn(int ftp, int nfile, const t_filenm fnm[])
127 for (i = 0; (i < nfile); i++)
129 if (ftp == fnm[i].ftp)
131 return fnm[i].filenames[0].c_str();
135 GMX_RELEASE_ASSERT(false, "ftp2fn should be called with a valid option");
140 gmx::ArrayRef<const std::string> ftp2fns(int ftp, int nfile, const t_filenm fnm[])
142 for (int i = 0; (i < nfile); i++)
144 if (ftp == fnm[i].ftp)
146 return fnm[i].filenames;
150 GMX_RELEASE_ASSERT(false, "ftp2fns should be called with a valid option");
155 gmx_bool ftp2bSet(int ftp, int nfile, const t_filenm fnm[])
159 for (i = 0; (i < nfile); i++)
161 if (ftp == fnm[i].ftp)
163 return static_cast<gmx_bool>(IS_SET(fnm[i]));
167 GMX_RELEASE_ASSERT(false, "ftp2bSet should be called with a valid option");
172 gmx_bool opt2bSet(const char* opt, int nfile, const t_filenm fnm[])
174 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
178 return static_cast<gmx_bool>(IS_SET(*fileOption));
181 GMX_RELEASE_ASSERT(false, "opt2bSet should be called with a valid option");
186 const char* opt2fn_null(const char* opt, int nfile, const t_filenm fnm[])
188 const t_filenm* fileOption = getFileOption(opt, nfile, fnm);
192 if (IS_OPT(*fileOption) && !IS_SET(*fileOption))
198 return fileOption->filenames[0].c_str();
202 GMX_RELEASE_ASSERT(false, "opt2fn_null should be called with a valid option");
207 const char* ftp2fn_null(int ftp, int nfile, const t_filenm fnm[])
211 for (i = 0; (i < nfile); i++)
213 if (ftp == fnm[i].ftp)
215 if (IS_OPT(fnm[i]) && !IS_SET(fnm[i]))
221 return fnm[i].filenames[0].c_str();
226 GMX_RELEASE_ASSERT(false, "ftp2fn_null should be called with a valid option");
231 gmx_bool is_optional(const t_filenm* fnm)
233 return ((fnm->flag & ffOPT) == ffOPT);
236 gmx_bool is_output(const t_filenm* fnm)
238 return ((fnm->flag & ffWRITE) == ffWRITE);
241 gmx_bool is_set(const t_filenm* fnm)
243 return ((fnm->flag & ffSET) == ffSET);
249 /*! \brief Return the first position within \c filename of the ".partNNNN"
250 * interior sequence produced by mdrun -noappend, or npos if not found. */
251 size_t findSuffixFromNoAppendPosition(const std::string_view filename)
253 size_t partPosition = filename.find(".part");
254 if ((partPosition != decltype(filename)::npos) && (filename.length() - partPosition >= 10)
255 && (std::isdigit(filename[partPosition + 5])) && (std::isdigit(filename[partPosition + 6]))
256 && (std::isdigit(filename[partPosition + 7])) && (std::isdigit(filename[partPosition + 8]))
257 && filename[partPosition + 9] == '.')
261 return decltype(filename)::npos;
266 bool hasSuffixFromNoAppend(const std::string_view filename)
268 return (findSuffixFromNoAppendPosition(filename) != decltype(filename)::npos);
271 int add_suffix_to_output_names(t_filenm* fnm, int nfile, const char* suffix)
273 for (int i = 0; i < nfile; i++)
275 if (is_output(&fnm[i]) && fnm[i].ftp != efCPT)
277 /* We never use multiple _outputs_, but we might as well check
278 for it, just in case... */
279 for (std::string& filename : fnm[i].filenames)
281 // mdrun should not generate files like
282 // md.part0002.part0003.log. mdrun should permit users
283 // to name files like md.equil.part0002.log. So,
284 // before we use Path::concatenateBeforeExtension to
285 // add the requested suffix, we need to check for
286 // files matching mdrun's pattern for adding part
287 // numbers. Then we can remove that if needed.
288 for (size_t partPosition;
289 (partPosition = findSuffixFromNoAppendPosition(filename)) != std::string::npos;)
291 // Remove the ".partNNNN" that we have found,
292 // and then run the loop again to make sure
293 // there isn't another one to remove, somehow.
294 std::string temporary = filename.substr(0, partPosition);
295 temporary += filename.substr(partPosition + 9);
296 filename.swap(temporary);
298 filename = gmx::Path::concatenateBeforeExtension(filename, suffix);