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add support to flag failed arguments for calls to expand_args()

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This commit is contained in:
Axel Kohlmeyer
2025-01-17 10:40:34 -05:00
parent 5a45ef6994
commit b9dbfc6eb2
4 changed files with 78 additions and 48 deletions
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41
src/fix_ave_time.cpp
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@ -68,7 +68,7 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
} else break;
}
if (nvalues == 0)
error->all(FLERR,"No values from computes, fixes, or variables used in fix ave/time command");
error->all(FLERR, 6, "No values from computes, fixes, or variables used in fix ave/time command");
// parse optional keywords
@ -79,7 +79,8 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
int expand = 0;
char **earg;
nvalues = utils::expand_args(FLERR,nvalues,&arg[6],mode,earg,lmp);
int *amap;
nvalues = utils::expand_args(FLERR,nvalues,&arg[6],mode,earg,lmp,&amap);
key2col.clear();
if (earg != &arg[6]) expand = 1;
@ -97,9 +98,10 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
key2col[arg[i]] = i;
if ((val.which == ArgInfo::NONE) || (val.which == ArgInfo::UNKNOWN) || (argi.get_dim() > 1))
error->all(FLERR,"Invalid fix ave/time argument: {}", arg[i]);
error->all(FLERR, amap[i]+6,"Invalid fix ave/time argument: {}", arg[i]);
val.argindex = argi.get_index1();
val.iarg = amap[i] + 6;
val.varlen = 0;
val.offcol = 0;
val.id = argi.get_name();
@ -122,9 +124,9 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
// for fix inputs, check that fix frequency is acceptable
// set variable_length if any compute is variable length
if (nevery <= 0) error->all(FLERR,"Illegal fix ave/time nevery value: {}", nevery);
if (nrepeat <= 0) error->all(FLERR,"Illegal fix ave/time nrepeat value: {}", nrepeat);
if (nfreq <= 0) error->all(FLERR,"Illegal fix ave/time nfreq value: {}", nfreq);
if (nevery <= 0) error->all(FLERR, 3, "Illegal fix ave/time nevery value: {}", nevery);
if (nrepeat <= 0) error->all(FLERR, 4, "Illegal fix ave/time nrepeat value: {}", nrepeat);
if (nfreq <= 0) error->all(FLERR, 5, "Illegal fix ave/time nfreq value: {}", nfreq);
if (nfreq % nevery || nrepeat*nevery > nfreq)
error->all(FLERR,"Inconsistent fix ave/time nevery/nrepeat/nfreq values");
if (ave != RUNNING && overwrite)
@ -134,25 +136,29 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
if ((val.which == ArgInfo::COMPUTE) && (mode == SCALAR)) {
val.val.c = modify->get_compute_by_id(val.id);
if (!val.val.c) error->all(FLERR,"Compute ID {} for fix ave/time does not exist", val.id);
if (!val.val.c)
error->all(FLERR, val.iarg, "Compute ID {} for fix ave/time does not exist", val.id);
if (val.argindex == 0 && (val.val.c->scalar_flag == 0))
error->all(FLERR,"Fix ave/time compute {} does not calculate a scalar", val.id);
error->all(FLERR, val.iarg, "Fix ave/time compute {} does not calculate a scalar", val.id);
if (val.argindex && (val.val.c->vector_flag == 0))
error->all(FLERR,"Fix ave/time compute {} does not calculate a vector", val.id);
error->all(FLERR, val.iarg, "Fix ave/time compute {} does not calculate a vector", val.id);
if (val.argindex && (val.argindex > val.val.c->size_vector) &&
(val.val.c->size_vector_variable == 0))
error->all(FLERR, "Fix ave/time compute {} vector is accessed out-of-range", val.id);
error->all(FLERR, val.iarg, "Fix ave/time compute {} vector is accessed out-of-range",
val.id);
if (val.argindex && val.val.c->size_vector_variable) val.varlen = 1;
} else if ((val.which == ArgInfo::COMPUTE) && (mode == VECTOR)) {
val.val.c = modify->get_compute_by_id(val.id);
if (!val.val.c) error->all(FLERR,"Compute ID {} for fix ave/time does not exist", val.id);
if (!val.val.c)
error->all(FLERR, val.iarg, "Compute ID {} for fix ave/time does not exist", val.id);
if ((val.argindex == 0) && (val.val.c->vector_flag == 0))
error->all(FLERR,"Fix ave/time compute {} does not calculate a vector", val.id);
error->all(FLERR, val.iarg, "Fix ave/time compute {} does not calculate a vector", val.id);
if (val.argindex && (val.val.c->array_flag == 0))
error->all(FLERR,"Fix ave/time compute {} does not calculate an array", val.id);
error->all(FLERR, val.iarg, "Fix ave/time compute {} does not calculate an array", val.id);
if (val.argindex && (val.argindex > val.val.c->size_array_cols))
error->all(FLERR,"Fix ave/time compute {} array is accessed out-of-range", val.id);
error->all(FLERR, val.iarg, "Fix ave/time compute {} array is accessed out-of-range",
val.id);
if ((val.argindex == 0) && (val.val.c->size_vector_variable)) val.varlen = 1;
if (val.argindex && (val.val.c->size_array_rows_variable)) val.varlen = 1;
@ -1042,7 +1048,7 @@ void FixAveTime::options(int iarg, int narg, char **arg)
if (strcmp(arg[iarg],"file") == 0) fp = fopen(arg[iarg+1],"w");
else fp = fopen(arg[iarg+1],"a");
if (fp == nullptr)
error->one(FLERR,"Cannot open fix ave/time file {}: {}",
error->one(FLERR, iarg+1, "Cannot open fix ave/time file {}: {}",
arg[iarg+1], utils::getsyserror());
}
iarg += 2;
@ -1051,12 +1057,13 @@ void FixAveTime::options(int iarg, int narg, char **arg)
if (strcmp(arg[iarg+1],"one") == 0) ave = ONE;
else if (strcmp(arg[iarg+1],"running") == 0) ave = RUNNING;
else if (strcmp(arg[iarg+1],"window") == 0) ave = WINDOW;
else error->all(FLERR,"Unknown fix ave/time ave keyword {}", arg[iarg+1]);
else error->all(FLERR, iarg+1, "Unknown fix ave/time ave keyword {}", arg[iarg+1]);
if (ave == WINDOW) {
if (iarg+3 > narg) utils::missing_cmd_args(FLERR, "fix ave/time ave window", error);
nwindow = utils::inumeric(FLERR,arg[iarg+2],false,lmp);
if (nwindow <= 0)
error->all(FLERR,"Illegal fix ave/time ave window argument {}; must be > 0", nwindow);
error->all(FLERR, iarg+2, "Illegal fix ave/time ave window argument {}; must be > 0",
nwindow);
}
iarg += 2;
if (ave == WINDOW) iarg++;