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modernize error messages

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This commit is contained in:
Axel Kohlmeyer
2025-03-06 11:07:34 -05:00
parent 1531810cc5
commit 3f9167be59
1 changed files with 68 additions and 46 deletions
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114
src/fix_move.cpp
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@ -51,7 +51,7 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
vyvarstr(nullptr), vzvarstr(nullptr), xoriginal(nullptr), toriginal(nullptr),
qoriginal(nullptr), muoriginal(nullptr), displace(nullptr), velocity(nullptr)
{
if (narg < 4) error->all(FLERR, "Illegal fix move command");
if (narg < 4) utils::missing_cmd_args(FLERR, "fix move", error);
restart_global = 1;
restart_peratom = 1;
@ -69,7 +69,7 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
int iarg = 0;
if (strcmp(arg[3], "linear") == 0) {
if (narg < 7) error->all(FLERR, "Illegal fix move command");
if (narg < 7) utils::missing_cmd_args(FLERR, "fix move linear", error);
iarg = 7;
mstyle = LINEAR;
if (strcmp(arg[4], "NULL") == 0)
@ -92,7 +92,7 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
}
} else if (strcmp(arg[3], "wiggle") == 0) {
if (narg < 8) error->all(FLERR, "Illegal fix move command");
if (narg < 8) utils::missing_cmd_args(FLERR, "fix move wiggle", error);
iarg = 8;
mstyle = WIGGLE;
if (strcmp(arg[4], "NULL") == 0)
@ -114,10 +114,10 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
az = utils::numeric(FLERR, arg[6], false, lmp);
}
period = utils::numeric(FLERR, arg[7], false, lmp);
if (period <= 0.0) error->all(FLERR, "Illegal fix move command");
if (period <= 0.0) error->all(FLERR, 7, "Illegal fix move wiggle period {}", period);
} else if (strcmp(arg[3], "rotate") == 0) {
if (narg < 11) error->all(FLERR, "Illegal fix move command");
if (narg < 11) utils::missing_cmd_args(FLERR, "fix move rotate", error);
iarg = 11;
mstyle = ROTATE;
point[0] = utils::numeric(FLERR, arg[4], false, lmp);
@ -127,10 +127,10 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
axis[1] = utils::numeric(FLERR, arg[8], false, lmp);
axis[2] = utils::numeric(FLERR, arg[9], false, lmp);
period = utils::numeric(FLERR, arg[10], false, lmp);
if (period <= 0.0) error->all(FLERR, "Illegal fix move command");
if (period <= 0.0) error->all(FLERR, 10, "Illegal fix move rotate period {}", period);
} else if (strcmp(arg[3], "transrot") == 0) {
if (narg < 11) error->all(FLERR, "Illegal fix move command");
if (narg < 11) utils::missing_cmd_args(FLERR, "fix move transrot", error);
iarg = 14;
mstyle = TRANSROT;
vxflag = vyflag = vzflag = 1;
@ -144,10 +144,10 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
axis[1] = utils::numeric(FLERR, arg[11], false, lmp);
axis[2] = utils::numeric(FLERR, arg[12], false, lmp);
period = utils::numeric(FLERR, arg[13], false, lmp);
if (period <= 0.0) error->all(FLERR, "Illegal fix move command");
if (period <= 0.0) error->all(FLERR, 13, "Illegal fix move rotate period {}", period);
} else if (strcmp(arg[3], "variable") == 0) {
if (narg < 10) error->all(FLERR, "Illegal fix move command");
if (narg < 10) utils::missing_cmd_args(FLERR, "fix move variable", error);
iarg = 10;
mstyle = VARIABLE;
if (strcmp(arg[4], "NULL") == 0)
@ -155,40 +155,41 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
else if (utils::strmatch(arg[4], "^v_")) {
xvarstr = utils::strdup(arg[4] + 2);
} else
error->all(FLERR, "Illegal fix move command");
error->all(FLERR, 4, "Argument must be either NULL or variable reference");
if (strcmp(arg[5], "NULL") == 0)
yvarstr = nullptr;
else if (utils::strmatch(arg[5], "^v_")) {
yvarstr = utils::strdup(arg[5] + 2);
} else
error->all(FLERR, "Illegal fix move command");
error->all(FLERR, 5, "Argument must be either NULL or variable reference");
if (strcmp(arg[6], "NULL") == 0)
zvarstr = nullptr;
else if (utils::strmatch(arg[6], "^v_")) {
zvarstr = utils::strdup(arg[6] + 2);
} else
error->all(FLERR, "Illegal fix move command");
error->all(FLERR, 6, "Argument must be either NULL or variable reference");
if (strcmp(arg[7], "NULL") == 0)
vxvarstr = nullptr;
else if (utils::strmatch(arg[7], "^v_")) {
vxvarstr = utils::strdup(arg[7] + 2);
} else
error->all(FLERR, "Illegal fix move command");
error->all(FLERR, 7, "Argument must be either NULL or variable reference");
if (strcmp(arg[8], "NULL") == 0)
vyvarstr = nullptr;
else if (utils::strmatch(arg[8], "^v_")) {
vyvarstr = utils::strdup(arg[8] + 2);
} else
error->all(FLERR, "Illegal fix move command");
error->all(FLERR, 8, "Argument must be either NULL or variable reference");
if (strcmp(arg[9], "NULL") == 0)
vzvarstr = nullptr;
else if (utils::strmatch(arg[9], "^v_")) {
vzvarstr = utils::strdup(arg[9] + 2);
} else
error->all(FLERR, "Illegal fix move command");
error->all(FLERR, 9, "Argument must be either NULL or variable reference");
} else
error->all(FLERR, "Illegal fix move command");
} else {
error->all(FLERR, 3, "Unknown fix move mode {}", arg[3]);
}
// optional args
@ -197,40 +198,40 @@ FixMove::FixMove(LAMMPS *lmp, int narg, char **arg) :
while (iarg < narg) {
if (strcmp(arg[iarg], "units") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal fix move command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "fix move units", error);
if (strcmp(arg[iarg + 1], "box") == 0)
scaleflag = 0;
else if (strcmp(arg[iarg + 1], "lattice") == 0)
scaleflag = 1;
else
error->all(FLERR, "Illegal fix move command");
error->all(FLERR, iarg + 1, "Unknown fix move units setting {}", arg[iarg + 1]);
iarg += 2;
} else if (strcmp(arg[iarg], "update") == 0) {
if (iarg + 2 > narg) error->all(FLERR, "Illegal fix move command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "fix move update", error);
if (strcmp(arg[iarg + 1], "dipole") == 0) {
if ((mstyle != ROTATE) && (mstyle != TRANSROT))
error->all(FLERR, "Keyword update dipole requires style rotate or transrot");
if (!atom->mu_flag) error->all(FLERR, "Keyword update dipole requires atom style dipole");
error->all(FLERR, 3, "Fix move keyword update dipole requires style rotate or transrot");
if (!atom->mu_flag)
error->all(FLERR, iarg + 1, "Fix move keyword update dipole requires atom attribute mu");
update_mu_flag = 1;
}
else
error->all(FLERR, "Illegal fix move command");
} else
error->all(FLERR, iarg + 1, "Unkown fix move update argument {}", arg[iarg + 1]);
iarg += 2;
} else
error->all(FLERR, "Illegal fix move command");
error->all(FLERR, iarg, "Unknown fix move keyword {}", arg[iarg]);
}
// error checks and warnings
if (domain->dimension == 2) {
if (((mstyle == LINEAR) || (mstyle == TRANSROT)) && vzflag && (vz != 0.0))
error->all(FLERR, "Fix move cannot set linear z motion for 2d problem");
error->all(FLERR, 3, "Fix move cannot set linear z motion for 2d problem");
if (mstyle == WIGGLE && azflag && az != 0.0)
error->all(FLERR, "Fix move cannot set wiggle z motion for 2d problem");
error->all(FLERR, 3, "Fix move cannot set wiggle z motion for 2d problem");
if (((mstyle == ROTATE) || (mstyle == TRANSROT)) && (axis[0] != 0.0 || axis[1] != 0.0))
error->all(FLERR, "Fix move cannot rotate around non z-axis for 2d problem");
error->all(FLERR, 3, "Fix move cannot rotate around non z-axis for 2d problem");
if (mstyle == VARIABLE && (zvarstr || vzvarstr))
error->all(FLERR, "Fix move cannot define z or vz variable for 2d problem");
error->all(FLERR, 3, "Fix move cannot define z or vz variable for 2d problem");
}
// setup scaling and apply scaling factors to velocity & amplitude
@ -452,63 +453,83 @@ void FixMove::init()
if (mstyle == VARIABLE) {
if (xvarstr) {
xvar = input->variable->find(xvarstr);
if (xvar < 0) error->all(FLERR, "Variable name for fix move does not exist");
if (xvar < 0)
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move does not exist",
xvarstr);
if (input->variable->equalstyle(xvar))
xvarstyle = EQUAL;
else if (input->variable->atomstyle(xvar))
xvarstyle = ATOM;
else
error->all(FLERR, "Variable for fix move is invalid style");
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move is invalid style",
xvarstr);
}
if (yvarstr) {
yvar = input->variable->find(yvarstr);
if (yvar < 0) error->all(FLERR, "Variable name for fix move does not exist");
if (yvar < 0)
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move does not exist",
yvarstr);
if (input->variable->equalstyle(yvar))
yvarstyle = EQUAL;
else if (input->variable->atomstyle(yvar))
yvarstyle = ATOM;
else
error->all(FLERR, "Variable for fix move is invalid style");
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move is invalid style",
yvarstr);
}
if (zvarstr) {
zvar = input->variable->find(zvarstr);
if (zvar < 0) error->all(FLERR, "Variable name for fix move does not exist");
if (zvar < 0)
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move does not exist",
zvarstr);
if (input->variable->equalstyle(zvar))
zvarstyle = EQUAL;
else if (input->variable->atomstyle(zvar))
zvarstyle = ATOM;
else
error->all(FLERR, "Variable for fix move is invalid style");
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move is invalid style",
zvarstr);
}
if (vxvarstr) {
vxvar = input->variable->find(vxvarstr);
if (vxvar < 0) error->all(FLERR, "Variable name for fix move does not exist");
if (vxvar < 0)
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move does not exist",
vxvarstr);
if (input->variable->equalstyle(vxvar))
vxvarstyle = EQUAL;
else if (input->variable->atomstyle(vxvar))
vxvarstyle = ATOM;
else
error->all(FLERR, "Variable for fix move is invalid style");
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move is invalid style",
vxvarstr);
}
if (vyvarstr) {
vyvar = input->variable->find(vyvarstr);
if (vyvar < 0) error->all(FLERR, "Variable name for fix move does not exist");
if (vyvar < 0)
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move does not exist",
vyvarstr);
if (input->variable->equalstyle(vyvar))
vyvarstyle = EQUAL;
else if (input->variable->atomstyle(vyvar))
vyvarstyle = ATOM;
else
error->all(FLERR, "Variable for fix move is invalid style");
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move is invalid style",
vyvarstr);
}
if (vzvarstr) {
vzvar = input->variable->find(vzvarstr);
if (vzvar < 0) error->all(FLERR, "Variable name for fix move does not exist");
if (vzvar < 0)
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move does not exist",
vzvarstr);
if (input->variable->equalstyle(vzvar))
vzvarstyle = EQUAL;
else if (input->variable->atomstyle(vzvar))
vzvarstyle = ATOM;
else
error->all(FLERR, "Variable for fix move is invalid style");
error->all(FLERR, Error::NOLASTLINE, "Variable name {} for fix move is invalid style",
vzvarstr);
}
if (xvarstr && xvarstyle == ATOM) displaceflag = 1;
@ -703,7 +724,7 @@ void FixMove::initial_integrate(int /*vflag*/)
qrotate[2] = runit[1] * qsine;
qrotate[3] = runit[2] * qsine;
double rotmat[3][3], g[3]; // for dipole rotation
double rotmat[3][3], g[3]; // for dipole rotation
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
@ -847,7 +868,7 @@ void FixMove::initial_integrate(int /*vflag*/)
qrotate[2] = runit[1] * qsine;
qrotate[3] = runit[2] * qsine;
double rotmat[3][3], g[3]; // for dipole rotation
double rotmat[3][3], g[3]; // for dipole rotation
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
@ -1358,7 +1379,8 @@ void FixMove::set_arrays(int i)
// backup particle to time_origin
if (mstyle == VARIABLE) error->all(FLERR, "Cannot add atoms to fix move variable");
if (mstyle == VARIABLE)
error->all(FLERR, Error::NOLASTLINE, "Cannot add atoms with fix move style variable");
domain->unmap(x[i], image[i], xoriginal[i]);
double delta = (update->ntimestep - time_origin) * update->dt;
@ -1635,5 +1657,5 @@ int FixMove::size_restart(int /*nlocal*/)
void FixMove::reset_dt()
{
error->all(FLERR, "Resetting timestep size is not allowed with fix move");
error->all(FLERR, Error::NOLASTLINE, "Resetting timestep size is not allowed with fix move");
}