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Update the KIM error messages

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This commit is contained in:
Yaser Afshar
2020-07-19 08:08:30 -05:00
parent 5fec11a0db
commit c844de03ef
1 changed files with 24 additions and 26 deletions
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50
src/KIM/kim_param.cpp
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@ -154,7 +154,7 @@ void KimParam::command(int narg, char **arg)
if ((kim_param_get_set != "get") && (kim_param_get_set != "set")) {
std::string msg("Incorrect arguments in kim_param command.\n");
msg += "'kim_param get/set' is mandatory.";
msg += "'kim_param get/set' is mandatory";
error->all(FLERR, msg);
}
@ -201,16 +201,16 @@ void KimParam::command(int narg, char **arg)
pkim = pairKIM->get_KIM_Model();
if (!pkim)
error->all(FLERR, "Unable to get the KIM Portable Model.");
error->all(FLERR, "Unable to get the KIM Portable Model");
if (kim_param_get_set == "set") {
atom_type_list = pairKIM->get_atom_type_list();
if (atom_type_list.empty())
error->all(FLERR, "The requested atom type list is empty.");
error->all(FLERR, "The requested atom type list is empty");
}
} else
error->all(FLERR, "Pair style is defined, but there is "
"no match for kim style in lammps.");
"no match for kim style in lammps");
} else {
if (kim_param_get_set == "set") {
std::string msg("Wrong 'kim_param set' command.\n");
@ -241,7 +241,7 @@ void KimParam::command(int narg, char **arg)
&units_accepted,
&pkim);
if (kim_error)
error->all(FLERR, "Unable to create KIM Portable Model.");
error->all(FLERR, "Unable to create KIM Portable Model");
}
}
@ -277,7 +277,7 @@ void KimParam::command(int narg, char **arg)
&kim_DataType, &extent,
&str_name, &str_desc);
if (kim_error)
error->all(FLERR, "KIM GetParameterMetadata returned error.");
error->all(FLERR, "KIM GetParameterMetadata returned error");
if (strcmp(paramname, str_name) == 0)
break;
@ -287,7 +287,7 @@ void KimParam::command(int narg, char **arg)
std::string msg("Wrong argument in kim_param get command.\n");
msg += "This Model does not have the requested '";
msg += paramname;
msg += "' parameter.";
msg += "' parameter";
error->all(FLERR, msg);
}
@ -304,7 +304,7 @@ void KimParam::command(int narg, char **arg)
std::string msg("Illegal index_range.\n");
msg += "Expected integer parameter(s) instead of '";
msg += argtostr;
msg += "' in index_range.";
msg += "' in index_range";
error->all(FLERR, msg);
}
@ -322,7 +322,7 @@ void KimParam::command(int narg, char **arg)
msg += paramname;
msg += "' parameter with the extent of '";
msg += std::to_string(extent);
msg += "'.";
msg += "'";
error->all(FLERR, msg);
}
} else {
@ -334,7 +334,7 @@ void KimParam::command(int narg, char **arg)
msg += paramname;
msg += "' parameter with the extent of '";
msg += std::to_string(extent);
msg += "'.";
msg += "'";
error->all(FLERR, msg);
}
nubound = nlbound;
@ -342,7 +342,7 @@ void KimParam::command(int narg, char **arg)
} else {
std::string msg("Wrong number of arguments in ");
msg += "'kim_param get' command.\n";
msg += "Index range after parameter name is mandatory.";
msg += "Index range after parameter name is mandatory";
error->all(FLERR, msg);
}
@ -355,7 +355,7 @@ void KimParam::command(int narg, char **arg)
} else {
std::string msg("Wrong number of arguments in ");
msg += "'kim_param get' command.\n";
msg += "The LAMMPS variable name is mandatory.";
msg += "The LAMMPS variable name is mandatory";
error->all(FLERR, msg);
}
@ -387,22 +387,20 @@ void KimParam::command(int narg, char **arg)
}
} else {
std::string msg("Wrong number of arguments in ");
msg += "'kim_param get' command.\n";
msg += "The LAMMPS '";
msg += "'kim_param get' command.\nThe LAMMPS '";
msg += std::to_string(nvars);
msg += "' variable names or '";
msg += varname;
msg += " split' is mandatory.";
msg += " split' is mandatory";
error->all(FLERR, msg);
}
} else {
std::string msg("Wrong number of arguments in ");
msg += "'kim_param get' command.\n";
msg += "The LAMMPS '";
msg += "'kim_param get' command.\nThe LAMMPS '";
msg += std::to_string(nvars);
msg += "' variable names or '";
msg += varname;
msg += " split/list' is mandatory.";
msg += " split/list' is mandatory";
error->all(FLERR, msg);
}
} else {
@ -435,14 +433,14 @@ void KimParam::command(int narg, char **arg)
kim_error = KIM_Model_GetParameterDouble(pkim, param_index,
nlbound - 1, &V);
if (kim_error)
error->all(FLERR, "KIM GetParameterDouble returned error.");
error->all(FLERR, "KIM GetParameterDouble returned error");
str << V;
}
for (int j = 1; j < nvars; ++j) {
kim_error = KIM_Model_GetParameterDouble(pkim, param_index,
nlbound - 1 + j, &V);
if (kim_error)
error->all(FLERR, "KIM GetParameterDouble returned error.");
error->all(FLERR, "KIM GetParameterDouble returned error");
str << " " << V;
}
varcmd[0] = varsname[0];
@ -456,7 +454,7 @@ void KimParam::command(int narg, char **arg)
kim_error = KIM_Model_GetParameterDouble(pkim, param_index,
nlbound - 1 + j, &V);
if (kim_error)
error->all(FLERR, "KIM GetParameterDouble returned error.");
error->all(FLERR, "KIM GetParameterDouble returned error");
std::stringstream str;
str << V;
varcmd[2] = const_cast<char *>(str.str().c_str());
@ -472,14 +470,14 @@ void KimParam::command(int narg, char **arg)
kim_error = KIM_Model_GetParameterInteger(pkim, param_index,
nlbound - 1, &V);
if (kim_error)
error->all(FLERR, "KIM GetParameterInteger returned error.");
error->all(FLERR, "KIM GetParameterInteger returned error");
str << V;
}
for (int j = 1; j < nvars; ++j) {
kim_error = KIM_Model_GetParameterInteger(pkim, param_index,
nlbound - 1 + j, &V);
if (kim_error)
error->all(FLERR, "KIM GetParameterInteger returned error.");
error->all(FLERR, "KIM GetParameterInteger returned error");
str << " " << V;
}
varcmd[0] = varsname[0];
@ -493,7 +491,7 @@ void KimParam::command(int narg, char **arg)
kim_error = KIM_Model_GetParameterInteger(pkim, param_index,
nlbound - 1 + j, &V);
if (kim_error)
error->all(FLERR, "KIM GetParameterInteger returned error.");
error->all(FLERR, "KIM GetParameterInteger returned error");
std::stringstream str;
str << V;
varcmd[2] = const_cast<char *>(str.str().c_str());
@ -502,7 +500,7 @@ void KimParam::command(int narg, char **arg)
}
}
} else
error->all(FLERR, "Wrong parameter type.");
error->all(FLERR, "Wrong parameter type");
delete[] varcmd;
delete[] varsname;
@ -518,7 +516,7 @@ void KimParam::command(int narg, char **arg)
input->one(set_cmd);
}
} else
error->all(FLERR, "This model has No mutable parameters.");
error->all(FLERR, "This model has No mutable parameters");
if (!isPairStyleAssigned)
KIM_Model_Destroy(&pkim);