reformat comments
This commit is contained in:
Axel Kohlmeyer
714
src/utils.h
714
src/utils.h
@ -33,19 +33,19 @@ class LAMMPS;
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namespace utils {
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namespace utils {
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/** Match text against a simplified regex pattern
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/*! Match text against a simplified regex pattern
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*
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*
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* \param text the text to be matched against the pattern
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* \param text the text to be matched against the pattern
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* \param pattern the search pattern, which may contain regexp markers
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* \param pattern the search pattern, which may contain regexp markers
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* \return true if the pattern matches, false if not */
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* \return true if the pattern matches, false if not */
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bool strmatch(const std::string &text, const std::string &pattern);
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bool strmatch(const std::string &text, const std::string &pattern);
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/** Find sub-string that matches a simplified regex pattern
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/*! Find sub-string that matches a simplified regex pattern
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*
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*
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* \param text the text to be matched against the pattern
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* \param text the text to be matched against the pattern
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* \param pattern the search pattern, which may contain regexp markers
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* \param pattern the search pattern, which may contain regexp markers
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* \return the string that matches the patters or an empty one */
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* \return the string that matches the patters or an empty one */
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std::string strfind(const std::string &text, const std::string &pattern);
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std::string strfind(const std::string &text, const std::string &pattern);
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@ -53,261 +53,261 @@ namespace utils {
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void fmtargs_logmesg(LAMMPS *lmp, fmt::string_view format, fmt::format_args args);
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void fmtargs_logmesg(LAMMPS *lmp, fmt::string_view format, fmt::format_args args);
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/** Send formatted message to screen and logfile, if available
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/*! Send formatted message to screen and logfile, if available
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*
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*
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* This function simplifies the repetitive task of outputting some
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* This function simplifies the repetitive task of outputting some
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* message to both the screen and/or the log file. The template
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* message to both the screen and/or the log file. The template
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* wrapper with fmtlib format and argument processing allows
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* wrapper with fmtlib format and argument processing allows
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* this function to work similar to ``fmt::print()``.
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* this function to work similar to ``fmt::print()``.
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*
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*
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* \param lmp pointer to LAMMPS class instance
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* \param lmp pointer to LAMMPS class instance
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* \param format format string of message to be printed
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* \param format format string of message to be printed
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* \param args arguments to format string */
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* \param ... arguments to format string */
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template <typename S, typename... Args> void logmesg(LAMMPS *lmp, const S &format, Args &&...args)
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template <typename S, typename... Args> void logmesg(LAMMPS *lmp, const S &format, Args &&...args)
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{
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{
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fmtargs_logmesg(lmp, format, fmt::make_args_checked<Args...>(format, args...));
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fmtargs_logmesg(lmp, format, fmt::make_args_checked<Args...>(format, args...));
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}
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}
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/** \overload
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/*! \overload
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*
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*
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* \param lmp pointer to LAMMPS class instance
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* \param lmp pointer to LAMMPS class instance
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* \param mesg string with message to be printed */
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* \param mesg string with message to be printed */
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void logmesg(LAMMPS *lmp, const std::string &mesg);
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void logmesg(LAMMPS *lmp, const std::string &mesg);
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/** Return a string representing the current system error status
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/*! Return a string representing the current system error status
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*
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*
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* This is a wrapper around calling strerror(errno).
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* This is a wrapper around calling strerror(errno).
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*
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*
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* \return error string */
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* \return error string */
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std::string getsyserror();
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std::string getsyserror();
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/** Wrapper around fgets() which reads whole lines but truncates the
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/*! Wrapper around fgets() which reads whole lines but truncates the
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* data to the buffer size and ensures a newline char at the end.
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* data to the buffer size and ensures a newline char at the end.
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*
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*
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* This function is useful for reading line based text files with
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* This function is useful for reading line based text files with
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* possible comments that should be parsed later. This applies to
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* possible comments that should be parsed later. This applies to
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* data files, potential files, atomfile variable files and so on.
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* data files, potential files, atomfile variable files and so on.
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* It is used instead of fgets() by utils::read_lines_from_file().
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* It is used instead of fgets() by utils::read_lines_from_file().
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*
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*
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* \param s buffer for storing the result of fgets()
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* \param s buffer for storing the result of fgets()
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* \param size size of buffer s (max number of bytes returned)
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* \param size size of buffer s (max number of bytes returned)
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* \param fp file pointer used by fgets() */
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* \param fp file pointer used by fgets() */
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char *fgets_trunc(char *s, int size, FILE *fp);
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char *fgets_trunc(char *s, int size, FILE *fp);
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/** Safe wrapper around fgets() which aborts on errors
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/*! Safe wrapper around fgets() which aborts on errors
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* or EOF and prints a suitable error message to help debugging.
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* or EOF and prints a suitable error message to help debugging.
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*
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*
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* Use nullptr as the error parameter to avoid the abort on EOF or error.
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* Use nullptr as the error parameter to avoid the abort on EOF or error.
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*
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*
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* \param srcname name of the calling source file (from FLERR macro)
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* \param srcname name of the calling source file (from FLERR macro)
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* \param srcline line in the calling source file (from FLERR macro)
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* \param srcline line in the calling source file (from FLERR macro)
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* \param s buffer for storing the result of fgets()
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* \param s buffer for storing the result of fgets()
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* \param size size of buffer s (max number of bytes read by fgets())
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* \param size size of buffer s (max number of bytes read by fgets())
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* \param fp file pointer used by fgets()
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* \param fp file pointer used by fgets()
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* \param filename file name associated with fp (may be a null pointer; then LAMMPS will try to detect)
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* \param filename file name associated with fp (may be a null pointer; then LAMMPS will try to detect)
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* \param error pointer to Error class instance (for abort) or nullptr */
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* \param error pointer to Error class instance (for abort) or nullptr */
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void sfgets(const char *srcname, int srcline, char *s, int size, FILE *fp, const char *filename,
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void sfgets(const char *srcname, int srcline, char *s, int size, FILE *fp, const char *filename,
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Error *error);
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Error *error);
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/** Safe wrapper around fread() which aborts on errors
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/*! Safe wrapper around fread() which aborts on errors
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* or EOF and prints a suitable error message to help debugging.
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* or EOF and prints a suitable error message to help debugging.
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*
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*
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* Use nullptr as the error parameter to avoid the abort on EOF or error.
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* Use nullptr as the error parameter to avoid the abort on EOF or error.
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*
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*
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* \param srcname name of the calling source file (from FLERR macro)
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* \param srcname name of the calling source file (from FLERR macro)
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* \param srcline line in the calling source file (from FLERR macro)
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* \param srcline line in the calling source file (from FLERR macro)
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* \param s buffer for storing the result of fread()
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* \param s buffer for storing the result of fread()
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* \param size size of data elements read by fread()
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* \param size size of data elements read by fread()
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* \param num number of data elements read by fread()
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* \param num number of data elements read by fread()
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* \param fp file pointer used by fread()
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* \param fp file pointer used by fread()
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* \param filename file name associated with fp (may be a null pointer; then LAMMPS will try to detect)
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* \param filename file name associated with fp (may be a null pointer; then LAMMPS will try to detect)
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* \param error pointer to Error class instance (for abort) or nullptr */
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* \param error pointer to Error class instance (for abort) or nullptr */
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void sfread(const char *srcname, int srcline, void *s, size_t size, size_t num, FILE *fp,
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void sfread(const char *srcname, int srcline, void *s, size_t size, size_t num, FILE *fp,
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const char *filename, Error *error);
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const char *filename, Error *error);
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/** Read N lines of text from file into buffer and broadcast them
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/*! Read N lines of text from file into buffer and broadcast them
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*
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*
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* This function uses repeated calls to fread() to fill a buffer with
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* This function uses repeated calls to fread() to fill a buffer with
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* newline terminated text. If a line does not end in a newline (e.g.
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* newline terminated text. If a line does not end in a newline (e.g.
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* at the end of a file), it is added. The caller has to allocate an
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* at the end of a file), it is added. The caller has to allocate an
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* nlines by nmax sized buffer for storing the text data.
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* nlines by nmax sized buffer for storing the text data.
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* Reading is done by MPI rank 0 of the given communicator only, and
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* Reading is done by MPI rank 0 of the given communicator only, and
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* thus only MPI rank 0 needs to provide a valid file pointer.
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* thus only MPI rank 0 needs to provide a valid file pointer.
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*
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*
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* \param fp file pointer used by fread
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* \param fp file pointer used by fread
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* \param nlines number of lines to be read
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* \param nlines number of lines to be read
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* \param nmax maximum length of a single line
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* \param nmax maximum length of a single line
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* \param buffer buffer for storing the data.
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* \param buffer buffer for storing the data.
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* \param me MPI rank of calling process in MPI communicator
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* \param me MPI rank of calling process in MPI communicator
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* \param comm MPI communicator for broadcast
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* \param comm MPI communicator for broadcast
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* \return 1 if the read was short, 0 if read was successful */
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* \return 1 if the read was short, 0 if read was successful */
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int read_lines_from_file(FILE *fp, int nlines, int nmax, char *buffer, int me, MPI_Comm comm);
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int read_lines_from_file(FILE *fp, int nlines, int nmax, char *buffer, int me, MPI_Comm comm);
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/** Report if a requested style is in a package or may have a typo
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/*! Report if a requested style is in a package or may have a typo
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*
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*
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* \param style type of style that is to be checked for
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* \param style type of style that is to be checked for
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* \param name name of style that was not found
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* \param name name of style that was not found
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* \param lmp pointer to top-level LAMMPS class instance
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* \param lmp pointer to top-level LAMMPS class instance
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* \return string usable for error messages */
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* \return string usable for error messages */
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std::string check_packages_for_style(const std::string &style, const std::string &name,
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std::string check_packages_for_style(const std::string &style, const std::string &name,
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LAMMPS *lmp);
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LAMMPS *lmp);
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/** Convert a string to a floating point number while checking
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/*! Convert a string to a floating point number while checking
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* if it is a valid floating point or integer number
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* if it is a valid floating point or integer number
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*
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*
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* \param file name of source file for error message
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* \param file name of source file for error message
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* \param line line number in source file for error message
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* \param line line number in source file for error message
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* \param str string to be converted to number
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* \param str string to be converted to number
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* \param do_abort determines whether to call Error::one() or Error::all()
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* \param do_abort determines whether to call Error::one() or Error::all()
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* \param lmp pointer to top-level LAMMPS class instance
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* \param lmp pointer to top-level LAMMPS class instance
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* \return double precision floating point number
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* \return double precision floating point number */
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*/
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double numeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
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double numeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
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/** Convert a string to an integer number while checking
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/*! Convert a string to an integer number while checking
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* if it is a valid integer number (regular int)
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* if it is a valid integer number (regular int)
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*
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*
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* \param file name of source file for error message
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* \param file name of source file for error message
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* \param line line number in source file for error message
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* \param line line number in source file for error message
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* \param str string to be converted to number
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* \param str string to be converted to number
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* \param do_abort determines whether to call Error::one() or Error::all()
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* \param do_abort determines whether to call Error::one() or Error::all()
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* \param lmp pointer to top-level LAMMPS class instance
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* \param lmp pointer to top-level LAMMPS class instance
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* \return integer number (regular int) */
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* \return integer number (regular int) */
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int inumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
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int inumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
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/** Convert a string to an integer number while checking
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/*! Convert a string to an integer number while checking
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* if it is a valid integer number (bigint)
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* if it is a valid integer number (bigint)
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*
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*
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* \param file name of source file for error message
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* \param file name of source file for error message
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* \param line line number in source file for error message
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* \param line line number in source file for error message
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* \param str string to be converted to number
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* \param str string to be converted to number
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* \param do_abort determines whether to call Error::one() or Error::all()
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* \param do_abort determines whether to call Error::one() or Error::all()
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* \param lmp pointer to top-level LAMMPS class instance
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* \param lmp pointer to top-level LAMMPS class instance
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* \return integer number (bigint) */
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* \return integer number (bigint) */
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bigint bnumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
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bigint bnumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
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/** Convert a string to an integer number while checking
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/*! Convert a string to an integer number while checking
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* if it is a valid integer number (tagint)
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* if it is a valid integer number (tagint)
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*
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*
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* \param file name of source file for error message
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* \param file name of source file for error message
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* \param line line number in source file for error message
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* \param line line number in source file for error message
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* \param str string to be converted to number
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* \param str string to be converted to number
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* \param do_abort determines whether to call Error::one() or Error::all()
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* \param do_abort determines whether to call Error::one() or Error::all()
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* \param lmp pointer to top-level LAMMPS class instance
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* \param lmp pointer to top-level LAMMPS class instance
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* \return integer number (tagint) */
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* \return integer number (tagint) */
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tagint tnumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
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tagint tnumeric(const char *file, int line, const char *str, bool do_abort, LAMMPS *lmp);
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/** Compute index bounds derived from a string with a possible wildcard
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/*! Compute index bounds derived from a string with a possible wildcard
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*
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*
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* This functions processes the string in *str* and set the values of *nlo*
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* This functions processes the string in *str* and set the values of *nlo*
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* and *nhi* according to the following five cases:
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* and *nhi* according to the following five cases:
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*
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*
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* - a single number, i: nlo = i; nhi = i;
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* - a single number, i: nlo = i; nhi = i;
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* - a single asterisk, \*: nlo = nmin; nhi = nmax;
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* - a single asterisk, \*: nlo = nmin; nhi = nmax;
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* - a single number followed by an asterisk, i\*: nlo = i; nhi = nmax;
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* - a single number followed by an asterisk, i\*: nlo = i; nhi = nmax;
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* - a single asterisk followed by a number, \*i: nlo = nmin; nhi = i;
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* - a single asterisk followed by a number, \*i: nlo = nmin; nhi = i;
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* - two numbers with an asterisk in between. i\*j: nlo = i; nhi = j;
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* - two numbers with an asterisk in between. i\*j: nlo = i; nhi = j;
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*
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*
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* \param file name of source file for error message
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* \param file name of source file for error message
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* \param line line number in source file for error message
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* \param line line number in source file for error message
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* \param str string to be processed
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* \param str string to be processed
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* \param nmin smallest possible lower bound
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* \param nmin smallest possible lower bound
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* \param nmax largest allowed upper bound
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* \param nmax largest allowed upper bound
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* \param nlo lower bound
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* \param nlo lower bound
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* \param nhi upper bound
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* \param nhi upper bound
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* \param error pointer to Error class for out-of-bounds messages */
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* \param error pointer to Error class for out-of-bounds messages */
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template <typename TYPE>
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template <typename TYPE>
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void bounds(const char *file, int line, const std::string &str, bigint nmin, bigint nmax,
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void bounds(const char *file, int line, const std::string &str, bigint nmin, bigint nmax,
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TYPE &nlo, TYPE &nhi, Error *error);
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TYPE &nlo, TYPE &nhi, Error *error);
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/** Expand list of arguments when containing fix/compute wildcards
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/*! Expand list of arguments when containing fix/compute wildcards
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*
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*
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* This function searches the list of arguments in *arg* for strings
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* This function searches the list of arguments in *arg* for strings
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* of the kind c_ID[*] or f_ID[*] referring to computes or fixes.
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* of the kind c_ID[*] or f_ID[*] referring to computes or fixes.
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* Any such strings are replaced by one or more strings with the
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* Any such strings are replaced by one or more strings with the
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* '*' character replaced by the corresponding possible numbers as
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* '*' character replaced by the corresponding possible numbers as
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* determined from the fix or compute instance. Other strings are
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* determined from the fix or compute instance. Other strings are
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* just copied. If the *mode* parameter is set to 0, expand global
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* just copied. If the *mode* parameter is set to 0, expand global
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* vectors, but not global arrays; if it is set to 1, expand global
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* vectors, but not global arrays; if it is set to 1, expand global
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* arrays (by column) but not global vectors.
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* arrays (by column) but not global vectors.
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*
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*
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* If any expansion happens, the earg list and all its
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* If any expansion happens, the earg list and all its
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* strings are new allocations and must be freed explicitly by the
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* strings are new allocations and must be freed explicitly by the
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* caller. Otherwise arg and earg will point to the same address
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* caller. Otherwise arg and earg will point to the same address
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* and no explicit de-allocation is needed by the caller.
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* and no explicit de-allocation is needed by the caller.
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*
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*
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* \param file name of source file for error message
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* \param file name of source file for error message
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* \param line line number in source file for error message
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* \param line line number in source file for error message
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* \param narg number of arguments in current list
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* \param narg number of arguments in current list
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* \param arg argument list, possibly containing wildcards
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* \param arg argument list, possibly containing wildcards
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* \param mode select between global vectors(=0) and arrays (=1)
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* \param mode select between global vectors(=0) and arrays (=1)
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* \param earg new argument list with wildcards expanded
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* \param earg new argument list with wildcards expanded
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* \param lmp pointer to top-level LAMMPS class instance
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* \param lmp pointer to top-level LAMMPS class instance
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* \return number of arguments in expanded list */
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* \return number of arguments in expanded list */
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|
||||||
int expand_args(const char *file, int line, int narg, char **arg, int mode, char **&earg,
|
int expand_args(const char *file, int line, int narg, char **arg, int mode, char **&earg,
|
||||||
LAMMPS *lmp);
|
LAMMPS *lmp);
|
||||||
|
|
||||||
/** Make C-style copy of string in new storage
|
/*! Make C-style copy of string in new storage
|
||||||
*
|
*
|
||||||
* This allocates a storage buffer and copies the C-style or
|
* This allocates a storage buffer and copies the C-style or
|
||||||
* C++ style string into it. The buffer is allocated with "new"
|
* C++ style string into it. The buffer is allocated with "new"
|
||||||
* and thus needs to be deallocated with "delete[]".
|
* and thus needs to be deallocated with "delete[]".
|
||||||
*
|
*
|
||||||
* \param text string that should be copied
|
* \param text string that should be copied
|
||||||
* \return new buffer with copy of string */
|
* \return new buffer with copy of string */
|
||||||
|
|
||||||
char *strdup(const std::string &text);
|
char *strdup(const std::string &text);
|
||||||
|
|
||||||
/** Trim leading and trailing whitespace. Like TRIM() in Fortran.
|
/*! Trim leading and trailing whitespace. Like TRIM() in Fortran.
|
||||||
*
|
*
|
||||||
* \param line string that should be trimmed
|
* \param line string that should be trimmed
|
||||||
* \return new string without whitespace (string) */
|
* \return new string without whitespace (string) */
|
||||||
|
|
||||||
std::string trim(const std::string &line);
|
std::string trim(const std::string &line);
|
||||||
|
|
||||||
/** Return string with anything from '#' onward removed
|
/*! Return string with anything from '#' onward removed
|
||||||
*
|
*
|
||||||
* \param line string that should be trimmed
|
* \param line string that should be trimmed
|
||||||
* \return new string without comment (string) */
|
* \return new string without comment (string) */
|
||||||
|
|
||||||
std::string trim_comment(const std::string &line);
|
std::string trim_comment(const std::string &line);
|
||||||
|
|
||||||
/** Check if a string will likely have UTF-8 encoded characters
|
/*! Check if a string will likely have UTF-8 encoded characters
|
||||||
*
|
*
|
||||||
* UTF-8 uses the 7-bit standard ASCII table for the first 127 characters and
|
* UTF-8 uses the 7-bit standard ASCII table for the first 127 characters and
|
||||||
* all other characters are encoded as multiple bytes. For the multi-byte
|
* all other characters are encoded as multiple bytes. For the multi-byte
|
||||||
* characters the first byte has either the highest two, three, or four bits
|
* characters the first byte has either the highest two, three, or four bits
|
||||||
* set followed by a zero bit and followed by one, two, or three more bytes,
|
* set followed by a zero bit and followed by one, two, or three more bytes,
|
||||||
* respectively, where the highest bit is set and the second highest bit set
|
* respectively, where the highest bit is set and the second highest bit set
|
||||||
* to 0. The remaining bits combined are the character code, which is thus
|
* to 0. The remaining bits combined are the character code, which is thus
|
||||||
* limited to 21-bits.
|
* limited to 21-bits.
|
||||||
*
|
*
|
||||||
* For the sake of efficiency this test only checks if a character in the string
|
* For the sake of efficiency this test only checks if a character in the string
|
||||||
* has the highest bit set and thus is very likely an UTF-8 character. It will
|
* has the highest bit set and thus is very likely an UTF-8 character. It will
|
||||||
* not be able to tell this this is a valid UTF-8 character or whether it is a
|
* not be able to tell this this is a valid UTF-8 character or whether it is a
|
||||||
* 2-byte, 3-byte, or 4-byte character.
|
* 2-byte, 3-byte, or 4-byte character.
|
||||||
*
|
*
|
||||||
\verbatim embed:rst
|
\verbatim embed:rst
|
||||||
|
|
||||||
*See also*
|
*See also*
|
||||||
:cpp:func:`utils::utf8_subst`
|
:cpp:func:`utils::utf8_subst`
|
||||||
|
|
||||||
\endverbatim
|
\endverbatim
|
||||||
* \param line string that should be checked
|
* \param line string that should be checked
|
||||||
* \return true if string contains UTF-8 encoded characters (bool) */
|
* \return true if string contains UTF-8 encoded characters (bool) */
|
||||||
|
|
||||||
inline bool has_utf8(const std::string &line)
|
inline bool has_utf8(const std::string &line)
|
||||||
{
|
{
|
||||||
@ -316,243 +316,245 @@ namespace utils {
|
|||||||
return false;
|
return false;
|
||||||
}
|
}
|
||||||
|
|
||||||
/** Replace known UTF-8 characters with ASCII equivalents
|
/*! Replace known UTF-8 characters with ASCII equivalents
|
||||||
*
|
*
|
||||||
\verbatim embed:rst
|
\verbatim embed:rst
|
||||||
|
|
||||||
*See also*
|
*See also*
|
||||||
:cpp:func:`utils::has_utf8`
|
:cpp:func:`utils::has_utf8`
|
||||||
|
|
||||||
\endverbatim
|
\endverbatim
|
||||||
* \param line string that should be converted
|
* \param line string that should be converted
|
||||||
* \return new string with ascii replacements (string) */
|
* \return new string with ascii replacements (string) */
|
||||||
|
|
||||||
std::string utf8_subst(const std::string &line);
|
std::string utf8_subst(const std::string &line);
|
||||||
|
|
||||||
/** Count words in string with custom choice of separating characters
|
/*! Count words in string with custom choice of separating characters
|
||||||
*
|
*
|
||||||
* \param text string that should be searched
|
* \param text string that should be searched
|
||||||
* \param separators string containing characters that will be treated as whitespace
|
* \param separators string containing characters that will be treated as whitespace
|
||||||
* \return number of words found */
|
* \return number of words found */
|
||||||
|
|
||||||
size_t count_words(const std::string &text, const std::string &separators);
|
size_t count_words(const std::string &text, const std::string &separators);
|
||||||
|
|
||||||
/** Count words in string, ignore any whitespace matching " \t\r\n\f"
|
/*! Count words in string, ignore any whitespace matching " \t\r\n\f"
|
||||||
*
|
*
|
||||||
* \param text string that should be searched
|
* \param text string that should be searched
|
||||||
* \return number of words found */
|
* \return number of words found */
|
||||||
|
|
||||||
size_t count_words(const std::string &text);
|
size_t count_words(const std::string &text);
|
||||||
|
|
||||||
/** Count words in C-string, ignore any whitespace matching " \t\r\n\f"
|
/*! Count words in C-string, ignore any whitespace matching " \t\r\n\f"
|
||||||
*
|
*
|
||||||
* \param text string that should be searched
|
* \param text string that should be searched
|
||||||
* \return number of words found */
|
* \return number of words found */
|
||||||
|
|
||||||
size_t count_words(const char *text);
|
size_t count_words(const char *text);
|
||||||
|
|
||||||
/** Count words in a single line, trim anything from '#' onward
|
/*! Count words in a single line, trim anything from '#' onward
|
||||||
*
|
*
|
||||||
* \param text string that should be trimmed and searched
|
* \param text string that should be trimmed and searched
|
||||||
* \param separators string containing characters that will be treated as whitespace
|
* \param separators string containing characters that will be treated as whitespace
|
||||||
* \return number of words found */
|
* \return number of words found */
|
||||||
|
|
||||||
size_t trim_and_count_words(const std::string &text, const std::string &separators = " \t\r\n\f");
|
size_t trim_and_count_words(const std::string &text, const std::string &separators = " \t\r\n\f");
|
||||||
|
|
||||||
/** Take text and split into non-whitespace words.
|
/*! Take text and split into non-whitespace words.
|
||||||
*
|
*
|
||||||
* This can handle strings with single and double quotes, escaped quotes,
|
* This can handle strings with single and double quotes, escaped quotes,
|
||||||
* and escaped codes within quotes, but due to using an STL container and
|
* and escaped codes within quotes, but due to using an STL container and
|
||||||
* STL strings is rather slow because of making copies. Designed for
|
* STL strings is rather slow because of making copies. Designed for
|
||||||
* parsing command lines and similar text and not for time critical
|
* parsing command lines and similar text and not for time critical
|
||||||
* processing. Use a tokenizer class if performance matters.
|
* processing. Use a tokenizer class if performance matters.
|
||||||
*
|
*
|
||||||
\verbatim embed:rst
|
\verbatim embed:rst
|
||||||
|
|
||||||
*See also*
|
*See also*
|
||||||
:cpp:class:`Tokenizer`, :cpp:class:`ValueTokenizer`
|
:cpp:class:`Tokenizer`, :cpp:class:`ValueTokenizer`
|
||||||
|
|
||||||
\endverbatim
|
\endverbatim
|
||||||
* \param text string that should be split
|
* \param text string that should be split
|
||||||
* \return STL vector with the words */
|
* \return STL vector with the words */
|
||||||
|
|
||||||
std::vector<std::string> split_words(const std::string &text);
|
std::vector<std::string> split_words(const std::string &text);
|
||||||
|
|
||||||
/** Take multi-line text and split into lines
|
/*! Take multi-line text and split into lines
|
||||||
*
|
*
|
||||||
* \param text string that should be split
|
* \param text string that should be split
|
||||||
* \return STL vector with the lines */
|
* \return STL vector with the lines */
|
||||||
std::vector<std::string> split_lines(const std::string &text);
|
std::vector<std::string> split_lines(const std::string &text);
|
||||||
|
|
||||||
/** Check if string can be converted to valid integer
|
/*! Check if string can be converted to valid integer
|
||||||
*
|
*
|
||||||
* \param str string that should be checked
|
* \param str string that should be checked
|
||||||
* \return true, if string contains valid a integer, false otherwise */
|
* \return true, if string contains valid a integer, false otherwise */
|
||||||
|
|
||||||
bool is_integer(const std::string &str);
|
bool is_integer(const std::string &str);
|
||||||
|
|
||||||
/** Check if string can be converted to valid floating-point number
|
/*! Check if string can be converted to valid floating-point number
|
||||||
*
|
*
|
||||||
* \param str string that should be checked
|
* \param str string that should be checked
|
||||||
* \return true, if string contains valid number, false otherwise */
|
* \return true, if string contains valid number, false otherwise */
|
||||||
|
|
||||||
bool is_double(const std::string &str);
|
bool is_double(const std::string &str);
|
||||||
|
|
||||||
/** Check if string is a valid ID
|
/*! Check if string is a valid ID
|
||||||
* ID strings may contain only letters, numbers, and underscores.
|
* ID strings may contain only letters, numbers, and underscores.
|
||||||
*
|
*
|
||||||
* \param str string that should be checked
|
* \param str string that should be checked
|
||||||
* \return true, if string contains valid id, false otherwise */
|
* \return true, if string contains valid id, false otherwise */
|
||||||
|
|
||||||
bool is_id(const std::string &str);
|
bool is_id(const std::string &str);
|
||||||
|
|
||||||
/** Try to detect pathname from FILE pointer.
|
/*! Try to detect pathname from FILE pointer.
|
||||||
*
|
*
|
||||||
* Currently only supported on Linux, otherwise will report "(unknown)".
|
* Currently only supported on Linux, otherwise will report "(unknown)".
|
||||||
*
|
*
|
||||||
* \param buf storage buffer for pathname. output will be truncated if not large enough
|
* \param buf storage buffer for pathname. output will be truncated if not large enough
|
||||||
* \param len size of storage buffer. output will be truncated to this length - 1
|
* \param len size of storage buffer. output will be truncated to this length - 1
|
||||||
* \param fp FILE pointer struct from STDIO library for which we want to detect the name
|
* \param fp FILE pointer struct from STDIO library for which we want to detect the name
|
||||||
* \return pointer to the storage buffer, i.e. buf */
|
* \return pointer to the storage buffer, i.e. buf */
|
||||||
|
|
||||||
const char *guesspath(char *buf, int len, FILE *fp);
|
const char *guesspath(char *buf, int len, FILE *fp);
|
||||||
|
|
||||||
/** Strip off leading part of path, return just the filename
|
/*! Strip off leading part of path, return just the filename
|
||||||
*
|
*
|
||||||
* \param path file path
|
* \param path file path
|
||||||
* \return file name */
|
* \return file name */
|
||||||
|
|
||||||
std::string path_basename(const std::string &path);
|
std::string path_basename(const std::string &path);
|
||||||
|
|
||||||
/** Return the directory part of a path. Return "." if empty
|
/*! Return the directory part of a path. Return "." if empty
|
||||||
*
|
*
|
||||||
* \param path file path
|
* \param path file path
|
||||||
* \return directory name */
|
* \return directory name */
|
||||||
|
|
||||||
std::string path_dirname(const std::string &path);
|
std::string path_dirname(const std::string &path);
|
||||||
|
|
||||||
/** Join two pathname segments
|
/*! Join two pathname segments
|
||||||
*
|
*
|
||||||
* This uses the forward slash '/' character unless LAMMPS is compiled
|
* This uses the forward slash '/' character unless LAMMPS is compiled
|
||||||
* for Windows where it used the equivalent backward slash '\\'.
|
* for Windows where it used the equivalent backward slash '\\'.
|
||||||
*
|
*
|
||||||
* \param a first path
|
* \param a first path
|
||||||
* \param b second path
|
* \param b second path
|
||||||
* \return combined path */
|
* \return combined path */
|
||||||
|
|
||||||
std::string path_join(const std::string &a, const std::string &b);
|
std::string path_join(const std::string &a, const std::string &b);
|
||||||
|
|
||||||
/** Check if file exists and is readable
|
/*! Check if file exists and is readable
|
||||||
*
|
*
|
||||||
* \param path file path
|
* \param path file path
|
||||||
* \return true if file exists and is readable */
|
* \return true if file exists and is readable */
|
||||||
|
|
||||||
bool file_is_readable(const std::string &path);
|
bool file_is_readable(const std::string &path);
|
||||||
|
|
||||||
/** Determine full path of potential file. If file is not found in current directory,
|
/*! Determine full path of potential file. If file is not found in current directory,
|
||||||
* search directories listed in LAMMPS_POTENTIALS environment variable
|
* search directories listed in LAMMPS_POTENTIALS environment variable
|
||||||
*
|
*
|
||||||
* \param path file path
|
* \param path file path
|
||||||
* \return full path to potential file */
|
* \return full path to potential file */
|
||||||
|
|
||||||
std::string get_potential_file_path(const std::string &path);
|
std::string get_potential_file_path(const std::string &path);
|
||||||
|
|
||||||
/** Read potential file and return DATE field if it is present
|
/*! Read potential file and return DATE field if it is present
|
||||||
*
|
*
|
||||||
* \param path file path
|
* \param path file path
|
||||||
* \param potential_name name of potential that is being read
|
* \param potential_name name of potential that is being read
|
||||||
* \return DATE field if present */
|
* \return DATE field if present */
|
||||||
|
|
||||||
std::string get_potential_date(const std::string &path, const std::string &potential_name);
|
std::string get_potential_date(const std::string &path, const std::string &potential_name);
|
||||||
|
|
||||||
/** Read potential file and return UNITS field if it is present
|
/*! Read potential file and return UNITS field if it is present
|
||||||
*
|
*
|
||||||
* \param path file path
|
* \param path file path
|
||||||
* \param potential_name name of potential that is being read
|
* \param potential_name name of potential that is being read
|
||||||
* \return UNITS field if present */
|
* \return UNITS field if present */
|
||||||
|
|
||||||
std::string get_potential_units(const std::string &path, const std::string &potential_name);
|
std::string get_potential_units(const std::string &path, const std::string &potential_name);
|
||||||
|
|
||||||
enum { NOCONVERT = 0, METAL2REAL = 1, REAL2METAL = 1 << 1 };
|
enum { NOCONVERT = 0, METAL2REAL = 1, REAL2METAL = 1 << 1 };
|
||||||
enum { UNKNOWN = 0, ENERGY };
|
enum { UNKNOWN = 0, ENERGY };
|
||||||
|
|
||||||
/** Return bitmask of available conversion factors for a given property
|
/*! Return bitmask of available conversion factors for a given property
|
||||||
*
|
*
|
||||||
* \param property property to be converted
|
* \param property property to be converted
|
||||||
* \return bitmask indicating available conversions */
|
* \return bitmask indicating available conversions */
|
||||||
|
|
||||||
int get_supported_conversions(const int property);
|
int get_supported_conversions(const int property);
|
||||||
|
|
||||||
/** Return unit conversion factor for given property and selected from/to units
|
/*! Return unit conversion factor for given property and selected from/to units
|
||||||
*
|
*
|
||||||
* \param property property to be converted
|
* \param property property to be converted
|
||||||
* \param conversion constant indicating the conversion
|
* \param conversion constant indicating the conversion
|
||||||
* \return conversion factor */
|
* \return conversion factor */
|
||||||
|
|
||||||
double get_conversion_factor(const int property, const int conversion);
|
double get_conversion_factor(const int property, const int conversion);
|
||||||
|
|
||||||
/** Open a potential file as specified by *name*
|
/*! Open a potential file as specified by *name*
|
||||||
*
|
*
|
||||||
* If opening the file directly fails, the function will search for
|
* If opening the file directly fails, the function will search for
|
||||||
* it in the list of folder pointed to by the environment variable
|
* it in the list of folder pointed to by the environment variable
|
||||||
* ``LAMMPS_POTENTIALS`` (if it is set).
|
* ``LAMMPS_POTENTIALS`` (if it is set).
|
||||||
*
|
*
|
||||||
* If the potential file has a ``UNITS`` tag in the first line, the
|
* If the potential file has a ``UNITS`` tag in the first line, the
|
||||||
* tag's value is compared to the current unit style setting.
|
* tag's value is compared to the current unit style setting.
|
||||||
* The behavior of the function then depends on the value of the
|
* The behavior of the function then depends on the value of the
|
||||||
* *auto_convert* parameter. If it is a null pointer, then the unit
|
* *auto_convert* parameter. If it is a null pointer, then the unit
|
||||||
* values must match or else the open will fail with an error. Otherwise
|
* values must match or else the open will fail with an error. Otherwise
|
||||||
* the bitmask that *auto_convert* points to is used check for
|
* the bitmask that *auto_convert* points to is used check for
|
||||||
* compatibility with possible automatic conversions by the calling
|
* compatibility with possible automatic conversions by the calling
|
||||||
* function. If compatible, the bitmask is set to the required
|
* function. If compatible, the bitmask is set to the required
|
||||||
* conversion or ``utils::NOCONVERT``.
|
* conversion or ``utils::NOCONVERT``.
|
||||||
*
|
*
|
||||||
* \param name file- or pathname of the potential file
|
* \param name file- or pathname of the potential file
|
||||||
* \param lmp pointer to top-level LAMMPS class instance
|
* \param lmp pointer to top-level LAMMPS class instance
|
||||||
* \param auto_convert pointer to unit conversion bitmask or ``nullptr``
|
* \param auto_convert pointer to unit conversion bitmask or ``nullptr``
|
||||||
* \return FILE pointer of the opened potential file or ``nullptr`` */
|
* \return FILE pointer of the opened potential file or ``nullptr`` */
|
||||||
|
|
||||||
FILE *open_potential(const std::string &name, LAMMPS *lmp, int *auto_convert);
|
FILE *open_potential(const std::string &name, LAMMPS *lmp, int *auto_convert);
|
||||||
|
|
||||||
/** Convert a time string to seconds
|
/*! Convert a time string to seconds
|
||||||
*
|
*
|
||||||
* The strings "off" and "unlimited" result in -1
|
* The strings "off" and "unlimited" result in -1
|
||||||
*
|
*
|
||||||
* \param timespec a string in the following format: ([[HH:]MM:]SS)
|
* \param timespec a string in the following format: ([[HH:]MM:]SS)
|
||||||
* \return total in seconds */
|
* \return total in seconds */
|
||||||
|
|
||||||
double timespec2seconds(const std::string ×pec);
|
double timespec2seconds(const std::string ×pec);
|
||||||
|
|
||||||
/** Convert a LAMMPS version date to a number
|
/*! Convert a LAMMPS version date to a number
|
||||||
*
|
*
|
||||||
* This will generate a number YYYYMMDD from a date string
|
* This will generate a number YYYYMMDD from a date string
|
||||||
* (with or without blanks) that is suitable for numerical
|
* (with or without blanks) that is suitable for numerical
|
||||||
* comparisons, i.e. later dates will generate a larger number.
|
* comparisons, i.e. later dates will generate a larger number.
|
||||||
*
|
*
|
||||||
* The day may or may not have a leading zero, the month
|
* The day may or may not have a leading zero, the month
|
||||||
* is identified by the first 3 letters (so there may be more)
|
* is identified by the first 3 letters (so there may be more)
|
||||||
* and the year may be 2 or 4 digits (the missing 2 digits will
|
* and the year may be 2 or 4 digits (the missing 2 digits will
|
||||||
* be assumed as 20. That is 04 corresponds to 2004).
|
* be assumed as 20. That is 04 corresponds to 2004).
|
||||||
*
|
*
|
||||||
* No check is made whether the date is valid.
|
* No check is made whether the date is valid.
|
||||||
*
|
*
|
||||||
* \param date string in the format (Day Month Year)
|
* \param date string in the format (Day Month Year)
|
||||||
* \return date code */
|
* \return date code */
|
||||||
|
|
||||||
int date2num(const std::string &date);
|
int date2num(const std::string &date);
|
||||||
|
|
||||||
/** Custom merge sort implementation
|
/*! Custom merge sort implementation
|
||||||
*
|
*
|
||||||
* This function provides a custom upward hybrid merge sort
|
* This function provides a custom upward hybrid merge sort
|
||||||
* implementation with support to pass an opaque pointer to
|
* implementation with support to pass an opaque pointer to
|
||||||
* the comparison function, e.g. for access to class members.
|
* the comparison function, e.g. for access to class members.
|
||||||
* This avoids having to use global variables. For improved
|
* This avoids having to use global variables. For improved
|
||||||
* performance, it uses an in-place insertion sort on initial
|
* performance, it uses an in-place insertion sort on initial
|
||||||
* chunks of up to 64 elements and switches to merge sort from
|
* chunks of up to 64 elements and switches to merge sort from
|
||||||
* then on.
|
* then on.
|
||||||
*
|
*
|
||||||
* \param index Array with indices to be sorted
|
* \param index Array with indices to be sorted
|
||||||
* \param num Length of the index array
|
* \param num Length of the index array
|
||||||
* \param ptr Pointer to opaque object passed to comparison function
|
* \param ptr Pointer to opaque object passed to comparison function
|
||||||
* \param comp Pointer to comparison function */
|
* \param comp Pointer to comparison function */
|
||||||
|
|
||||||
void merge_sort(int *index, int num, void *ptr, int (*comp)(int, int, void *));
|
void merge_sort(int *index, int num, void *ptr, int (*comp)(int, int, void *));
|
||||||
} // namespace utils
|
} // namespace utils
|
||||||
|
|||||||
Reference in New Issue
Block a user