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allow '#' character in type labels. support also when reading Atoms section

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This commit is contained in:
Axel Kohlmeyer
2022-09-03 16:48:39 -04:00
parent 8d9adeef16
commit d43051d07c
3 changed files with 20 additions and 7 deletions
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6
src/label_map.cpp
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@ -138,9 +138,9 @@ void LabelMap::modify_lmap(int narg, char **arg)
if ((itype < 1) || (itype > ntypes))
error->all(FLERR, "Labelmap {} type {} must be within 1-{}", tlabel, itype, ntypes);
std::string slabel(arg[iarg++]);
if (isdigit(slabel[0]))
error->all(FLERR, "Label {} for {} type {} must not start with a number", slabel, tlabel,
itype);
if (isdigit(slabel[0]) || (slabel[0] == '#') || (slabel[0] == '*'))
error->all(FLERR, "Label {} for {} type {} must not start with a number, a '#', or a '*'",
slabel, tlabel, itype);
int found = search(slabel, (*labels_map));
if ((found != -1) && (found != itype))
error->all(FLERR, "The {} type label {} is already in use for type {}", tlabel, slabel,