move Force::bounds() and Force::boundsbig() to utils.
This commit is contained in:
Axel Kohlmeyer
118
src/utils.h
118
src/utils.h
@ -94,12 +94,12 @@ namespace LAMMPS_NS {
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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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*
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* \param file name of source file for error message
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* \param line in source file for error message
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* \param str string to be converted to number
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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 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 lmp pointer to top-level LAMMPS class instance
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* \return double precision floating point number
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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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*/
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double numeric(const char *file, int line, const char *str,
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bool do_abort, LAMMPS *lmp);
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@ -107,12 +107,12 @@ namespace LAMMPS_NS {
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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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*
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* \param file name of source file for error message
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* \param line in source file for error message
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* \param str string to be converted to number
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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 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 lmp pointer to top-level LAMMPS class instance
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* \return integer number (regular int)
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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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*/
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int inumeric(const char *file, int line, const char *str,
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bool do_abort, LAMMPS *lmp);
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@ -120,12 +120,12 @@ namespace LAMMPS_NS {
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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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*
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* \param file name of source file for error message
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* \param line in source file for error message
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* \param str string to be converted to number
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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 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 lmp pointer to top-level LAMMPS class instance
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* \return integer number (bigint)
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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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*/
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bigint bnumeric(const char *file, int line, const char *str,
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bool do_abort, LAMMPS *lmp);
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@ -133,16 +133,94 @@ namespace LAMMPS_NS {
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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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*
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* \param file name of source file for error message
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* \param line in source file for error message
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* \param str string to be converted to number
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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 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 lmp pointer to top-level LAMMPS class instance
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* \return integer number (tagint)
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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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*/
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tagint tnumeric(const char *file, int line, const char *str,
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bool do_abort, LAMMPS *lmp);
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/** Compute index bounds derived from a string with a possible wildcard
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*
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\verbatim embed:rst
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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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#. a single number *i*: nlo = i; nhi = i;
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#. a single asterix *\*\ *: nlo = nmin; nhi = nmax;
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#. a single number followed by an asterix *i\*\ *: nlo = i; nhi = nmax;
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#. a single asterix followed by a number *\*\ i*: nlo = nmin; nhi = i;
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#. two numbers with an asterix in between *i\*\ j*: nlo = i; nhi = j;
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\endverbatim
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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 str string to be processed
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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 nlo lower bound
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* \param nhi upper bound
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* \param error pointer to Error class for out-of-bounds error message
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*/
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void bounds(const char *file, int line, char *str,
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int nmin, int nmax, int &nlo, int &nhi, Error *error);
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/** Compute index bounds derived from a string with a possible wildcard
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*
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\verbatim embed:rst
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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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#. a single number *i*: nlo = i; nhi = i;
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#. a single asterix *\*\ *: nlo = nmin; nhi = nmax;
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#. a single number followed by an asterix *i\*\ *: nlo = i; nhi = nmax;
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#. a single asterix followed by a number *\*\ i*: nlo = nmin; nhi = i;
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#. two numbers with an asterix in between *i\*\ j*: nlo = i; nhi = j;
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\endverbatim
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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 str string to be processed
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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 nlo lower bound
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* \param nhi upper bound
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* \param error pointer to Error class for out-of-bounds error message
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*/
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void boundsbig(const char *file, int line, char *str,
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bigint nmin, bigint nmax, bigint &nlo, bigint &nhi,
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Error *error);
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/** Expand list of arguments when containing fix/compute wildcards
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*
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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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* 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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* 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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* 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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*
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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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* caller. Otherwise arg and earg will point to the same address
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* and no explicit deallocation is needed by the caller.
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*
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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 narg number of arguments in current list
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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 earg new argument list with wildcards expanded
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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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*/
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int expand_args(const char *file, int line, int narg, char **arg,
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int mode, char **&earg, LAMMPS *lmp);
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/** Trim leading and trailing whitespace. Like TRIM() in Fortran.
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*
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* \param line string that should be trimmed
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