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update a bunch more error messages

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This commit is contained in:
Axel Kohlmeyer
2025-03-19 17:17:47 -04:00
parent b936673935
commit 04bb57f8e2
18 changed files with 521 additions and 327 deletions
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76
src/compute_slice.cpp
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@ -34,9 +34,10 @@ ComputeSlice::ComputeSlice(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, nar
nstop = utils::inumeric(FLERR, arg[4], false, lmp);
nskip = utils::inumeric(FLERR, arg[5], false, lmp);
if (nstart < 1) error->all(FLERR, "Invalid compute slice nstart value {} < 1", nstart);
if (nstop < nstart) error->all(FLERR, "Invalid compute slice nstop value {} < {}", nstop, nstart);
if (nskip < 1) error->all(FLERR, "Invalid compute slice nskip value < 1: {}", nskip);
if (nstart < 1) error->all(FLERR, 3, "Invalid compute slice nstart value {} < 1", nstart);
if (nstop < nstart)
error->all(FLERR, 4, "Invalid compute slice nstop value {} < {}", nstop, nstart);
if (nskip < 1) error->all(FLERR, 5, "Invalid compute slice nskip value < 1: {}", nskip);
// parse values
@ -47,11 +48,12 @@ ComputeSlice::ComputeSlice(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, nar
value_t val;
val.which = argi.get_type();
val.argindex = argi.get_index1();
val.iarg = iarg;
val.id = argi.get_name();
val.val.c = nullptr;
if ((val.which == ArgInfo::UNKNOWN) || (val.which == ArgInfo::NONE) || (argi.get_dim() > 1))
error->all(FLERR, "Illegal compute slice argument: {}", arg[iarg]);
error->all(FLERR, iarg, "Illegal compute slice argument: {}", arg[iarg]);
values.push_back(val);
}
@ -61,49 +63,63 @@ ComputeSlice::ComputeSlice(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, nar
for (auto &val : values) {
if (val.which == ArgInfo::COMPUTE) {
val.val.c = modify->get_compute_by_id(val.id);
if (!val.val.c) error->all(FLERR, "Compute ID {} for compute slice does not exist", val.id);
if (!val.val.c)
error->all(FLERR, val.iarg, "Compute ID {} for compute slice does not exist", val.id);
if (val.val.c->vector_flag) {
if (val.argindex)
error->all(FLERR, "Compute slice compute {} does not calculate a global array", val.id);
error->all(FLERR, val.iarg, "Compute slice compute {} does not calculate a global array",
val.id);
if (nstop > val.val.c->size_vector)
error->all(FLERR, "Compute slice compute {} vector is accessed out-of-range", val.id);
error->all(FLERR, val.iarg, "Compute slice compute {} vector is accessed out-of-range{}",
val.id, utils::errorurl(20));
} else if (val.val.c->array_flag) {
if (val.argindex == 0)
error->all(FLERR, "Compute slice compute {} does not calculate a global vector", val.id);
error->all(FLERR, val.iarg, "Compute slice compute {} does not calculate a global vector",
val.id);
if (val.argindex > val.val.c->size_array_cols)
error->all(FLERR, "Compute slice compute {} array is accessed out-of-range", val.id);
error->all(FLERR, val.iarg, "Compute slice compute {} array is accessed out-of-range{}",
val.id, utils::errorurl(20));
if (nstop > val.val.c->size_array_rows)
error->all(FLERR, "Compute slice compute {} array is accessed out-of-range", val.id);
error->all(FLERR, val.iarg, "Compute slice compute {} array is accessed out-of-range{}",
val.id, utils::errorurl(20));
} else {
error->all(FLERR, "Compute slice compute {} does not calculate global vector or array",
val.id);
error->all(FLERR, val.iarg, "Compute slice compute {} does not calculate global vector or "
"array", val.id);
}
} else if (val.which == ArgInfo::FIX) {
val.val.f = modify->get_fix_by_id(val.id);
if (!val.val.f) error->all(FLERR, "Fix ID {} for compute slice does not exist", val.id);
if (!val.val.f)
error->all(FLERR, val.iarg, "Fix ID {} for compute slice does not exist", val.id);
if (val.val.f->vector_flag) {
if (val.argindex)
error->all(FLERR, "Compute slice fix {} does not calculate a global array", val.id);
error->all(FLERR, val.iarg, "Compute slice fix {} does not calculate a global array",
val.id);
if (nstop > val.val.f->size_vector)
error->all(FLERR, "Compute slice fix {} vector is accessed out-of-range", val.id);
error->all(FLERR, val.iarg, "Compute slice fix {} vector is accessed out-of-range{}",
val.id, utils::errorurl(20));
} else if (val.val.f->array_flag) {
if (val.argindex == 0)
error->all(FLERR, "Compute slice fix {} does not calculate a global vector", val.id);
error->all(FLERR, val.iarg, "Compute slice fix {} does not calculate a global vector",
val.id);
if (val.argindex > val.val.f->size_array_cols)
error->all(FLERR, "Compute slice fix {} array is accessed out-of-range", val.id);
error->all(FLERR, val.iarg, "Compute slice fix {} array is accessed out-of-range{}",
val.id, utils::errorurl(20));
if (nstop > val.val.f->size_array_rows)
error->all(FLERR, "Compute slice fix {} array is accessed out-of-range", val.id);
error->all(FLERR, val.iarg, "Compute slice fix {} array is accessed out-of-range{}",
val.id, utils::errorurl(20));
} else {
error->all(FLERR, "Compute slice fix {} does not calculate global vector or array", val.id);
error->all(FLERR, val.iarg, "Compute slice fix {} does not calculate global vector or "
"array", val.id);
}
} else if (val.which == ArgInfo::VARIABLE) {
val.val.v = input->variable->find(val.id.c_str());
if (val.val.v < 0)
error->all(FLERR, "Variable name {} for compute slice does not exist", val.id);
error->all(FLERR, val.iarg, "Variable name {} for compute slice does not exist", val.id);
if (val.argindex == 0 && input->variable->vectorstyle(val.val.v) == 0)
error->all(FLERR, "Compute slice variable {} is not vector-style variable", val.id);
error->all(FLERR, val.iarg, "Compute slice variable {} is not vector-style variable",
val.id);
if (val.argindex)
error->all(FLERR, "Compute slice vector variable {} cannot be indexed", val.id);
error->all(FLERR, val.iarg, "Compute slice vector variable {} cannot be indexed", val.id);
}
}
@ -195,14 +211,18 @@ void ComputeSlice::init()
for (auto &val : values) {
if (val.which == ArgInfo::COMPUTE) {
val.val.c = modify->get_compute_by_id(val.id);
if (!val.val.c) error->all(FLERR, "Compute ID {} for compute slice does not exist", val.id);
if (!val.val.c)
error->all(FLERR, Error::NOLASTLINE, "Compute ID {} for compute slice does not exist",
val.id);
} else if (val.which == ArgInfo::FIX) {
val.val.f = modify->get_fix_by_id(val.id);
if (!val.val.f) error->all(FLERR, "Fix ID {} for compute slice does not exist", val.id);
if (!val.val.f)
error->all(FLERR, Error::NOLASTLINE, "Fix ID {} for compute slice does not exist", val.id);
} else if (val.which == ArgInfo::VARIABLE) {
val.val.v = input->variable->find(val.id.c_str());
if (val.val.v < 0)
error->all(FLERR, "Variable name {} for compute slice does not exist", val.id);
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for compute slice does not exist",
val.id);
}
}
}
@ -267,7 +287,8 @@ void ComputeSlice::extract_one(int m, double *vec, int stride)
} else if (val.which == ArgInfo::FIX) {
if (update->ntimestep % val.val.f->global_freq)
error->all(FLERR, "Fix {} used in compute slice not computed at compatible time", val.id);
error->all(FLERR, Error::NOLASTLINE, "Fix {} used in compute slice not computed at "
"compatible time{}", val.id, utils::errorurl(7));
if (val.argindex == 0) {
int j = 0;
@ -289,7 +310,8 @@ void ComputeSlice::extract_one(int m, double *vec, int stride)
} else if (val.which == ArgInfo::VARIABLE) {
double *varvec;
int nvec = input->variable->compute_vector(val.val.v, &varvec);
if (nvec < nstop) error->all(FLERR, "Compute slice variable {} is not long enough", val.id);
if (nvec < nstop)
error->all(FLERR, Error::NOLASTLINE, "Compute slice variable {} is not long enough", val.id);
int j = 0;
for (int i = nstart; i < nstop; i += nskip) {
vec[j] = varvec[i - 1];