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improve error messages

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This commit is contained in:
Axel Kohlmeyer
2025-05-21 12:20:00 -04:00
parent 7328dedb7b
commit a46d32e4d4
1 changed files with 5 additions and 2 deletions
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7
src/molecule.cpp
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@ -158,13 +158,16 @@ Molecule::Molecule(LAMMPS *lmp, int narg, char **arg, int &index) :
// check if JSON file is compatible
if (json_format) {
std::string val;
if (moldata.contains("application")) {
if (moldata["application"] != "LAMMPS")
error->one(FLERR, fileiarg, "JSON file {} is not compatible with LAMMPS", arg[fileiarg]);
error->one(FLERR, fileiarg, "JSON file {} is not compatible with LAMMPS: {}",
arg[fileiarg], std::string(moldata["application"]));
}
if (moldata.contains("format")) {
if (moldata["format"] != "molecule")
error->one(FLERR, fileiarg, "JSON file {} is not a molecule file", arg[fileiarg]);
error->one(FLERR, fileiarg, "JSON file {} is not a molecule file: {}", arg[fileiarg],
std::string(moldata["format"]));
}
if (moldata.contains("revision")) {
int rev = moldata["revision"];