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improve error messages for dynamic groups

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This commit is contained in:
Axel Kohlmeyer
2022-12-28 07:11:13 -05:00
parent 5dbb0e7455
commit 82c2b35423
1 changed files with 22 additions and 16 deletions
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38
src/fix_group.cpp
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@ -55,43 +55,44 @@ FixGroup::FixGroup(LAMMPS *lmp, int narg, char **arg) :
int iarg = 3;
while (iarg < narg) {
if (strcmp(arg[iarg], "region") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal group command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "group dynamic region", error);
if (!domain->get_region_by_id(arg[iarg + 1]))
error->all(FLERR, "Region {} for group dynamic does not exist", arg[iarg + 1]);
error->all(FLERR, "Region {} for dynamic group {} does not exist", arg[iarg + 1], dgroupid);
regionflag = 1;
delete[] idregion;
idregion = utils::strdup(arg[iarg + 1]);
iarg += 2;
} else if (strcmp(arg[iarg], "var") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal group command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "group dynamic var", error);
if (input->variable->find(arg[iarg + 1]) < 0)
error->all(FLERR, "Variable name for group dynamic does not exist");
error->all(FLERR, "Variable '{}' for dynamic group {} does not exist", arg[iarg + 1],
dgroupid);
varflag = 1;
delete[] idvar;
idvar = utils::strdup(arg[iarg + 1]);
iarg += 2;
} else if (strcmp(arg[iarg], "property") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal group command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "group dynamic property", error);
int flag, cols;
iprop = atom->find_custom(arg[iarg + 1], flag, cols);
if (iprop < 0 || cols)
error->all(FLERR,
"Custom per-atom vector for group dynamic "
"does not exist");
error->all(FLERR, "Custom per-atom vector {} for dynamic group {} does not exist",
arg[iarg + 1], dgroupid);
propflag = 1;
delete[] idprop;
idprop = utils::strdup(arg[iarg + 1]);
iarg += 2;
} else if (strcmp(arg[iarg], "every") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal group command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "group dynamic every", error);
nevery = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
if (nevery <= 0) error->all(FLERR, "Illegal group command");
if (nevery <= 0)
error->all(FLERR, "Illegal every value {} for dynamic group {}", nevery, dgroupid);
iarg += 2;
} else
error->all(FLERR, "Illegal group command");
error->all(FLERR, "Unknown keyword {} in dynamic group command", arg[iarg]);
}
}
@ -116,10 +117,12 @@ int FixGroup::setmask()
void FixGroup::init()
{
std::string dyngroup = group->names[igroup];
// parent group cannot be dynamic
// else order of FixGroup fixes would matter
if (group->dynamic[igroup]) error->all(FLERR, "Group dynamic parent group cannot be dynamic");
if (group->dynamic[igroup])
error->all(FLERR, "Dynamic group parent group {} cannot be dynamic", dyngroup);
if (utils::strmatch(update->integrate_style, "^respa"))
nlevels_respa = (dynamic_cast<Respa *>(update->integrate))->nlevels;
@ -128,21 +131,24 @@ void FixGroup::init()
if (regionflag) {
region = domain->get_region_by_id(idregion);
if (!region) error->all(FLERR, "Region {} for group dynamic does not exist", idregion);
if (!region)
error->all(FLERR, "Region {} for dynamic group {} does not exist", idregion, dyngroup);
}
if (varflag) {
ivar = input->variable->find(idvar);
if (ivar < 0) error->all(FLERR, "Variable name for group dynamic does not exist");
if (ivar < 0)
error->all(FLERR, "Variable '{}' for dynamic group {} does not exist", idvar, dyngroup);
if (!input->variable->atomstyle(ivar))
error->all(FLERR, "Variable for group dynamic is invalid style");
error->all(FLERR, "Variable '{}' for dynamic group is of incompatible style");
}
if (propflag) {
int cols;
iprop = atom->find_custom(idprop, proptype, cols);
if (iprop < 0 || cols)
error->all(FLERR, "Group dynamic command custom property vector does not exist");
error->all(FLERR, "Custom per-atom property vector {} for dynamic group {} does not exist",
idprop, dyngroup);
}
}