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replace atoi() with suitable utility functions

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This commit is contained in:
Axel Kohlmeyer
2022-12-09 16:56:17 -05:00
parent f24cb96517
commit b0accb4ebf
3 changed files with 9 additions and 9 deletions
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10
src/REACTION/fix_bond_react.cpp
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@ -4274,12 +4274,14 @@ void FixBondReact::readID(char *strarg, int iconstr, int myrxn, int i)
if (isalpha(strarg[0])) {
constraints[iconstr][myrxn].idtype[i] = FRAG; // fragment vs. atom ID flag
int ifragment = onemol->findfragment(strarg);
if (ifragment < 0) error->one(FLERR,"Fix bond/react: Molecule fragment does not exist");
if (ifragment < 0)
error->one(FLERR,"Fix bond/react: Molecule fragment {} does not exist", strarg);
constraints[iconstr][myrxn].id[i] = ifragment;
} else {
constraints[iconstr][myrxn].idtype[i] = ATOM; // fragment vs. atom ID flag
int iatom = atoi(strarg);
if (iatom > onemol->natoms) error->one(FLERR,"Fix bond/react: Invalid template atom ID in map file");
int iatom = utils::inumeric(FLERR, strarg, true, lmp);
if (iatom > onemol->natoms)
error->one(FLERR,"Fix bond/react: Invalid template atom ID {} in map file", strarg);
constraints[iconstr][myrxn].id[i] = iatom;
}
}
@ -4287,7 +4289,7 @@ void FixBondReact::readID(char *strarg, int iconstr, int myrxn, int i)
void FixBondReact::open(char *file)
{
fp = fopen(file,"r");
if (fp == nullptr) error->one(FLERR, "Fix bond/react: Cannot open map file {}",file);
if (fp == nullptr) error->one(FLERR, "Fix bond/react: Cannot open map file {}", file);
}
void FixBondReact::readline(char *line)