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replace Input::readtype() with utils::expand_type()

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This commit is contained in:
Axel Kohlmeyer
2022-09-05 06:16:18 -04:00
parent 75e897b2fe
commit 4f3f2412fb
5 changed files with 60 additions and 105 deletions
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43
src/atom.cpp
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@ -1940,41 +1940,22 @@ void Atom::set_mass(const char *file, int line, int /*narg*/, char **arg)
if (mass == nullptr)
error->all(file,line, "Cannot set per-type atom mass for atom style {}", atom_style);
// clang-format on
std::string typestr = utils::utf8_subst(utils::trim(arg[0]));
switch (utils::is_type(typestr)) {
char *typestr = utils::expand_type(file, line, arg[0], Atom::ATOM, lmp);
if (typestr) arg[0] = typestr;
case 0: { // numeric
int lo, hi;
utils::bounds(file, line, typestr, 1, ntypes, lo, hi, error);
if ((lo < 1) || (hi > ntypes))
error->all(file, line, "Invalid atom type {} for atom mass", typestr);
int lo, hi;
utils::bounds(file, line, arg[0], 1, ntypes, lo, hi, error);
if ((lo < 1) || (hi > ntypes))
error->all(file, line, "Invalid atom type {} for atom mass", arg[0]);
const double value = utils::numeric(FLERR, arg[1], false, lmp);
if (value <= 0.0)
error->all(file, line, "Invalid atom mass value {} for type {}", value, typestr);
const double value = utils::numeric(FLERR, arg[1], false, lmp);
if (value <= 0.0)
error->all(file, line, "Invalid atom mass value {} for type {}", value, arg[0]);
for (int itype = lo; itype <= hi; itype++) {
mass[itype] = value;
mass_setflag[itype] = 1;
}
break;
}
case 1: { // type label
if (!atom->labelmapflag) error->all(FLERR, "Invalid atom type {} for setting mass", typestr);
int itype = lmap->find(typestr, Atom::ATOM);
if (itype == -1) error->all(file, line, "Invalid type {} for setting mass", typestr);
mass[itype] = utils::numeric(FLERR, arg[1], false, lmp);
mass_setflag[itype] = 1;
break;
}
default: // invalid
error->one(FLERR, "Invalid mass setting");
break;
for (int itype = lo; itype <= hi; itype++) {
mass[itype] = value;
mass_setflag[itype] = 1;
}
// clang-format off
}
/* ----------------------------------------------------------------------