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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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14
src/utils.cpp
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@ -767,6 +767,8 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
return newarg;
}
static const char *labeltypes[] = {"Atom", "Bond", "Angle", "Dihedral", "Improper"};
/* -------------------------------------------------------------------------
Expand type string to numeric string from labelmap.
Return copy of expanded type or null pointer.
@ -775,12 +777,16 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
char *utils::expand_type(const char *file, int line, const std::string &str, int mode, LAMMPS *lmp)
{
if (!lmp) return nullptr;
if (is_type(str) == 1) {
const std::string typestr = utils::utf8_subst(str);
if (is_type(typestr) == 1) {
if (!lmp->atom->labelmapflag)
lmp->error->all(file, line, "Type string {} cannot be used without a labelmap", str);
lmp->error->all(file, line, "{} type string {} cannot be used without a labelmap",
labeltypes[mode], typestr);
int type = lmp->atom->lmap->find(str, mode);
if (type == -1) lmp->error->all(file, line, "Type string {} not found in labelmap", str);
int type = lmp->atom->lmap->find(typestr, mode);
if (type == -1)
lmp->error->all(file, line, "{} type string {} not found in labelmap", labeltypes[mode],
typestr);
return utils::strdup(std::to_string(type));
} else