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modernize some error messages

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This commit is contained in:
Axel Kohlmeyer
2025-03-31 01:28:25 -04:00
parent 1c609ef3e4
commit 9d2b5302b9
1 changed files with 10 additions and 13 deletions
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23
src/REACTION/fix_bond_react.cpp
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@ -171,7 +171,7 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
// by using fixed group names, only one instance of fix bond/react is allowed. // by using fixed group names, only one instance of fix bond/react is allowed.
if (modify->get_fix_by_style("^bond/react").size() != 0) if (modify->get_fix_by_style("^bond/react").size() != 0)
error->all(FLERR,"Only one instance of fix bond/react allowed at a time"); error->all(FLERR, Error::NOLASTLINE, "Only one instance of fix bond/react allowed at a time");
// let's find number of reactions specified // let's find number of reactions specified
nreacts = 0; nreacts = 0;
@ -179,13 +179,12 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[i],"react") == 0) { if (strcmp(arg[i],"react") == 0) {
nreacts++; nreacts++;
i = i + 6; // skip past mandatory arguments i = i + 6; // skip past mandatory arguments
if (i > narg) error->all(FLERR,"Illegal fix bond/react command: " if (i > narg) utils::missing_cmd_args(FLERR,"fix bond/react react", error);
"'react' has too few arguments");
} }
} }
if (nreacts == 0) error->all(FLERR,"Illegal fix bond/react command: " if (nreacts == 0)
"missing mandatory 'react' argument"); error->all(FLERR, Error::NOLASTLINE, "Fix bond/react is missing mandatory 'react' keyword");
size_vector = nreacts; size_vector = nreacts;
@ -195,28 +194,26 @@ FixBondReact::FixBondReact(LAMMPS *lmp, int narg, char **arg) :
int num_common_keywords = 2; int num_common_keywords = 2;
for (int m = 0; m < num_common_keywords; m++) { for (int m = 0; m < num_common_keywords; m++) {
if (strcmp(arg[iarg],"stabilization") == 0) { if (strcmp(arg[iarg],"stabilization") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix bond/react command: " if (iarg+2 > narg) utils::missing_cmd_args(FLERR,"fix bond/react stabilization", error);
"'stabilization' keyword has too few arguments");
stabilization_flag = utils::logical(FLERR,arg[iarg+1],false,lmp); stabilization_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
if (stabilization_flag) { if (stabilization_flag) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix bond/react command:" if (iarg+4 > narg)
"'stabilization' keyword has too few arguments"); utils::missing_cmd_args(FLERR, "fix bond/react stabilization yes", error);
exclude_group = utils::strdup(arg[iarg+2]); exclude_group = utils::strdup(arg[iarg+2]);
nve_limit_xmax = arg[iarg+3]; nve_limit_xmax = arg[iarg+3];
iarg += 4; iarg += 4;
} else iarg += 2; } else iarg += 2;
} else if (strcmp(arg[iarg],"reset_mol_ids") == 0) { } else if (strcmp(arg[iarg],"reset_mol_ids") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix bond/react command: " if (iarg+2 > narg) utils::missing_cmd_args(FLERR,"fix bond/react reset_mol_ids", error);
"'reset_mol_ids' keyword has too few arguments");
std::string str = arg[iarg+1]; std::string str = arg[iarg+1];
if (str == "yes") molid_mode = RESET_MOL_IDS::YES; if (str == "yes") molid_mode = RESET_MOL_IDS::YES;
else if (str == "no") molid_mode = RESET_MOL_IDS::NO; else if (str == "no") molid_mode = RESET_MOL_IDS::NO;
else if (str == "molmap") molid_mode = RESET_MOL_IDS::MOLMAP; else if (str == "molmap") molid_mode = RESET_MOL_IDS::MOLMAP;
else error->all(FLERR,"Unknown option for 'reset_mol_ids' keyword"); else error->all(FLERR, iarg+1, "Unknown option {} for 'reset_mol_ids' keyword", str);
iarg += 2; iarg += 2;
} else if (strcmp(arg[iarg],"react") == 0) { } else if (strcmp(arg[iarg],"react") == 0) {
break; break;
} else error->all(FLERR,"Illegal fix bond/react command: unknown keyword"); } else error->all(FLERR, iarg, "Unknown fix bond/react command keyword {}", arg[iarg]);
} }
if (molid_mode == RESET_MOL_IDS::YES) { if (molid_mode == RESET_MOL_IDS::YES) {