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bounds() wrapper for type labels

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This commit is contained in:
Jacob Gissinger
2024-05-12 14:30:55 -04:00
parent 61b9469fd1
commit 44b99b6b76
2 changed files with 38 additions and 1 deletions
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26
src/utils.cpp
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@ -604,7 +604,7 @@ void utils::bounds(const char *file, int line, const std::string &str,
{ {
nlo = nhi = -1; nlo = nhi = -1;
// check for illegal charcters // check for illegal characters
size_t found = str.find_first_not_of("*-0123456789"); size_t found = str.find_first_not_of("*-0123456789");
if (found != std::string::npos) { if (found != std::string::npos) {
if (error) error->all(file, line, "Invalid range string: {}", str); if (error) error->all(file, line, "Invalid range string: {}", str);
@ -647,6 +647,30 @@ template void utils::bounds<>(const char *, int, const std::string &,
bigint, bigint, long &, long &, Error *); bigint, bigint, long &, long &, Error *);
template void utils::bounds<>(const char *, int, const std::string &, template void utils::bounds<>(const char *, int, const std::string &,
bigint, bigint, long long &, long long &, Error *); bigint, bigint, long long &, long long &, Error *);
/* ----------------------------------------------------------------------
wrapper for bounds() that accepts type label input
------------------------------------------------------------------------- */
template <typename TYPE>
void utils::bounds_typelabel(const char *file, int line, const std::string &str, bigint nmin,
bigint nmax, TYPE &nlo, TYPE &nhi, Error *error, LAMMPS *lmp, int mode)
{
nlo = nhi = -1;
char *typestr;
if ( typestr = utils::expand_type(FLERR, str, mode, lmp) )
nlo = nhi = utils::inumeric(FLERR, typestr, false, lmp);
delete[] typestr;
if (nlo > -1) return;
else utils::bounds(file, line, str, nmin, nmax, nlo, nhi, error);
}
template void utils::bounds_typelabel<>(const char *, int, const std::string &,
bigint, bigint, int &, int &, Error *, LAMMPS *, int);
template void utils::bounds_typelabel<>(const char *, int, const std::string &,
bigint, bigint, long &, long &, Error *, LAMMPS *, int);
template void utils::bounds_typelabel<>(const char *, int, const std::string &,
bigint, bigint, long long &, long long &, Error *, LAMMPS *, int);
// clang-format on // clang-format on
/* ------------------------------------------------------------------------- /* -------------------------------------------------------------------------

13
src/utils.h
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@ -331,6 +331,19 @@ namespace utils {
void bounds(const char *file, int line, const std::string &str, bigint nmin, bigint nmax, void bounds(const char *file, int line, const std::string &str, bigint nmin, bigint nmax,
TYPE &nlo, TYPE &nhi, Error *error); TYPE &nlo, TYPE &nhi, Error *error);
/*! Same as bounds(), but supports type labels
*
* This functions adds the following case:
*
* - a single type label, typestr: nlo = nhi = label2type(typestr)
*
* \param lmp pointer to top-level LAMMPS class instance
* \param mode select labelmap using constants from Atom class */
template <typename TYPE>
void bounds_typelabel(const char *file, int line, const std::string &str, bigint nmin, bigint nmax,
TYPE &nlo, TYPE &nhi, Error *error, LAMMPS *lmp, int mode);
/*! Expand list of arguments when containing fix/compute wildcards /*! Expand list of arguments when containing fix/compute wildcards
* *
* This function searches the list of arguments in *arg* for strings * This function searches the list of arguments in *arg* for strings