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improve error messages in run and variable.cpp

This commit is contained in:
Jiancheng Chen 2022-08-25 11:09:21 +08:00
parent e74b87d9af
commit 59837dd44b
2 changed files with 38 additions and 35 deletions
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26
src/run.cpp
View File

@ -36,7 +36,7 @@ Run::Run(LAMMPS *lmp) : Command(lmp) {}
void Run::command(int narg, char **arg)
{
if (narg < 1) error->all(FLERR,"Illegal run command");
if (narg < 1) utils::missing_cmd_args(FLERR, "run", error);
if (domain->box_exist == 0)
error->all(FLERR,"Run command before simulation box is defined");
@ -62,25 +62,25 @@ void Run::command(int narg, char **arg)
int iarg = 1;
while (iarg < narg) {
if (strcmp(arg[iarg],"upto") == 0) {
if (iarg+1 > narg) error->all(FLERR,"Illegal run command");
if (iarg+1 > narg) utils::missing_cmd_args(FLERR, "run upto", error);
uptoflag = 1;
iarg += 1;
} else if (strcmp(arg[iarg],"start") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "run start", error);
startflag = 1;
start = utils::bnumeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"stop") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "run stop", error);
stopflag = 1;
stop = utils::bnumeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"pre") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "run pre", error);
preflag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"post") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal run command");
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "run post", error);
postflag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
@ -89,15 +89,15 @@ void Run::command(int narg, char **arg)
// set ncommands = 0 if single command and it is "NULL"
} else if (strcmp(arg[iarg],"every") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal run command");
if (iarg+3 > narg) utils::missing_cmd_args(FLERR, "run every", error);
nevery = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (nevery <= 0) error->all(FLERR,"Illegal run command");
if (nevery <= 0) error->all(FLERR, "Invalid run every argument: {}", nevery);
first = iarg+2;
last = narg-1;
ncommands = last-first + 1;
if (ncommands == 1 && strcmp(arg[first],"NULL") == 0) ncommands = 0;
iarg = narg;
} else error->all(FLERR,"Illegal run command");
} else error->all(FLERR,"Unknown run keyword: {}", arg[iarg]);
}
// set nsteps as integer, using upto value if specified
@ -105,12 +105,12 @@ void Run::command(int narg, char **arg)
int nsteps;
if (!uptoflag) {
if (nsteps_input < 0 || nsteps_input > MAXSMALLINT)
error->all(FLERR,"Invalid run command N value");
error->all(FLERR,"Invalid run command N value: {}", nsteps_input);
nsteps = static_cast<int> (nsteps_input);
} else {
bigint delta = nsteps_input - update->ntimestep;
if (delta < 0 || delta > MAXSMALLINT)
error->all(FLERR,"Invalid run command upto value");
error->all(FLERR,"Invalid run command upto value: {}", delta);
nsteps = static_cast<int> (delta);
}
@ -118,13 +118,13 @@ void Run::command(int narg, char **arg)
if (startflag) {
if (start < 0)
error->all(FLERR,"Invalid run command start/stop value");
error->all(FLERR,"Invalid run command start value: {}", start);
if (start > update->ntimestep)
error->all(FLERR,"Run command start value is after start of run");
}
if (stopflag) {
if (stop < 0)
error->all(FLERR,"Invalid run command start/stop value");
error->all(FLERR,"Invalid run command stop value: {}", stop);
if (stop < update->ntimestep + nsteps)
error->all(FLERR,"Run command stop value is before end of run");
}

47
src/variable.cpp
View File

@ -162,7 +162,7 @@ Variable::~Variable()
void Variable::set(int narg, char **arg)
{
if (narg < 2) error->all(FLERR,"Illegal variable command");
if (narg < 2) utils::missing_cmd_args(FLERR, "variable", error);
int replaceflag = 0;
@ -170,7 +170,7 @@ void Variable::set(int narg, char **arg)
// doesn't matter if variable no longer exists
if (strcmp(arg[1],"delete") == 0) {
if (narg != 2) error->all(FLERR,"Illegal variable command");
if (narg != 2) error->all(FLERR,"Illegal variable command: expected 2 argument but found {}", narg);
if (find(arg[0]) >= 0) remove(find(arg[0]));
return;
@ -178,7 +178,7 @@ void Variable::set(int narg, char **arg)
// num = listed args, which = 1st value, data = copied args
} else if (strcmp(arg[1],"index") == 0) {
if (narg < 3) error->all(FLERR,"Illegal variable command");
if (narg < 3) utils::missing_cmd_args(FLERR, "variable index", error);
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = INDEX;
@ -193,6 +193,7 @@ void Variable::set(int narg, char **arg)
// 2 args + pad: num = N2, which = N1, data = single string
} else if (strcmp(arg[1],"loop") == 0) {
if (narg < 3) utils::missing_cmd_args(FLERR, "variable loop", error);
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = LOOP;
@ -200,7 +201,7 @@ void Variable::set(int narg, char **arg)
if (narg == 3 || (narg == 4 && strcmp(arg[3],"pad") == 0)) {
nfirst = 1;
nlast = utils::inumeric(FLERR,arg[2],false,lmp);
if (nlast <= 0) error->all(FLERR,"Illegal variable command");
if (nlast <= 0) error->all(FLERR, "Invalid variable loop argument: {}", nlast);
if (narg == 4 && strcmp(arg[3],"pad") == 0) {
pad[nvar] = fmt::format("{}",nlast).size();
} else pad[nvar] = 0;
@ -208,11 +209,11 @@ void Variable::set(int narg, char **arg)
nfirst = utils::inumeric(FLERR,arg[2],false,lmp);
nlast = utils::inumeric(FLERR,arg[3],false,lmp);
if (nfirst > nlast || nlast < 0)
error->all(FLERR,"Illegal variable command");
error->all(FLERR,"Illegal variable loop command: {} > {}", nfirst,nlast);
if (narg == 5 && strcmp(arg[4],"pad") == 0) {
pad[nvar] = fmt::format("{}",nlast).size();
} else pad[nvar] = 0;
} else error->all(FLERR,"Illegal variable command");
} else error->all(FLERR,"Illegal variable loop command: too much arguments");
num[nvar] = nlast;
which[nvar] = nfirst-1;
data[nvar] = new char*[1];
@ -223,7 +224,7 @@ void Variable::set(int narg, char **arg)
// error check that num = # of worlds in universe
} else if (strcmp(arg[1],"world") == 0) {
if (narg < 3) error->all(FLERR,"Illegal variable command");
if (narg < 3) utils::missing_cmd_args(FLERR, "variable world", error);
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = WORLD;
@ -244,7 +245,7 @@ void Variable::set(int narg, char **arg)
} else if (strcmp(arg[1],"universe") == 0 || strcmp(arg[1],"uloop") == 0) {
if (strcmp(arg[1],"universe") == 0) {
if (narg < 3) error->all(FLERR,"Illegal variable command");
if (narg < 3) utils::missing_cmd_args(FLERR, "variable universe", error);
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = UNIVERSE;
@ -253,8 +254,10 @@ void Variable::set(int narg, char **arg)
data[nvar] = new char*[num[nvar]];
copy(num[nvar],&arg[2],data[nvar]);
} else if (strcmp(arg[1],"uloop") == 0) {
if (narg < 3 || narg > 4 || (narg == 4 && strcmp(arg[3],"pad") != 0))
error->all(FLERR,"Illegal variable command");
if (narg < 3 || narg > 4)
error->all(FLERR,"Illegal variable command: expected 3 or 4 arguments but found {}", narg);
if (narg == 4 && strcmp(arg[3],"pad") != 0)
error->all(FLERR, "Invalid variable uloop argument: {}", arg[3]);
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = ULOOP;
@ -292,7 +295,7 @@ void Variable::set(int narg, char **arg)
// data = 1 value, string to eval
} else if (strcmp(arg[1],"string") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
int maxcopy = strlen(arg[2]) + 1;
int maxwork = maxcopy;
@ -326,7 +329,7 @@ void Variable::set(int narg, char **arg)
// data = 1 value, string to eval
} else if (strcmp(arg[1],"getenv") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
if (find(arg[0]) >= 0) {
if (style[find(arg[0])] != GETENV)
error->all(FLERR,"Cannot redefine variable as a different style");
@ -346,7 +349,7 @@ void Variable::set(int narg, char **arg)
// data = 1 value, string to eval
} else if (strcmp(arg[1],"file") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = SCALARFILE;
@ -364,7 +367,7 @@ void Variable::set(int narg, char **arg)
// data = nullptr
} else if (strcmp(arg[1],"atomfile") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = ATOMFILE;
@ -384,7 +387,7 @@ void Variable::set(int narg, char **arg)
// 3rd is filled on retrieval
} else if (strcmp(arg[1],"format") == 0) {
if (narg != 4) error->all(FLERR,"Illegal variable command");
if (narg != 4) error->all(FLERR,"Illegal variable command: expected 4 arguments but found {}", narg);
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) grow();
style[nvar] = FORMAT;
@ -404,7 +407,7 @@ void Variable::set(int narg, char **arg)
// data = 2 values, 1st is string to eval, 2nd is filled on retrieval
} else if (strcmp(arg[1],"equal") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
int ivar = find(arg[0]);
if (ivar >= 0) {
if (style[ivar] != EQUAL)
@ -430,7 +433,7 @@ void Variable::set(int narg, char **arg)
// data = 1 value, string to eval
} else if (strcmp(arg[1],"atom") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
int ivar = find(arg[0]);
if (ivar >= 0) {
if (style[ivar] != ATOM)
@ -454,7 +457,7 @@ void Variable::set(int narg, char **arg)
// data = 1 value, string to eval
} else if (strcmp(arg[1],"vector") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
int ivar = find(arg[0]);
if (ivar >= 0) {
if (style[ivar] != VECTOR)
@ -478,7 +481,7 @@ void Variable::set(int narg, char **arg)
// data = 2 values, 1st is Python func to invoke, 2nd is filled by invoke
} else if (strcmp(arg[1],"python") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
if (!python->is_enabled())
error->all(FLERR,"LAMMPS is not built with Python embedded");
int ivar = find(arg[0]);
@ -507,7 +510,7 @@ void Variable::set(int narg, char **arg)
// dvalue = numeric initialization via platform::walltime()
} else if (strcmp(arg[1],"timer") == 0) {
if (narg != 2) error->all(FLERR,"Illegal variable command");
if (narg != 2) error->all(FLERR,"Illegal variable command: expected 2 arguments but found {}", narg);
int ivar = find(arg[0]);
if (ivar >= 0) {
if (style[ivar] != TIMER)
@ -531,7 +534,7 @@ void Variable::set(int narg, char **arg)
// dvalue = numeric initialization from 2nd arg, reset by internal_set()
} else if (strcmp(arg[1],"internal") == 0) {
if (narg != 3) error->all(FLERR,"Illegal variable command");
if (narg != 3) error->all(FLERR,"Illegal variable command: expected 3 arguments but found {}", narg);
int ivar = find(arg[0]);
if (ivar >= 0) {
if (style[ivar] != INTERNAL)
@ -551,7 +554,7 @@ void Variable::set(int narg, char **arg)
// unrecognized variable style
} else error->all(FLERR,"Illegal variable command");
} else error->all(FLERR,"Unknown variable keyword: {}", arg[1]);
// set name of variable, if not replacing one flagged with replaceflag
// name must be all alphanumeric chars or underscores