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more work on dump image

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This commit is contained in:
Steve Plimpton
2022-11-22 16:40:39 -07:00
parent 3683f144a6
commit 9ab4c65f31
6 changed files with 300 additions and 298 deletions
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156
src/dump_grid.cpp
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@ -77,6 +77,10 @@ DumpGrid::DumpGrid(LAMMPS *lmp, int narg, char **arg) :
dimension = domain->dimension;
// for 2d, set nzgrid = 1 for dump grid and grid/vtk files
if (dimension == 2) nzgrid = 1;
// computes and fixes which the dump accesses
ncompute = 0;
@ -269,9 +273,9 @@ void DumpGrid::init_style()
int nxtmp,nytmp,nztmp;
for (int i = 0; i < nfield; i++) {
if (dimension == 2) {
if (field2source[i] == COMPUTE)
grid2d = (Grid2d *) compute[field2index[i]]->get_grid_by_index(field2grid[i]);
else
if (field2source[i] == COMPUTE)
grid2d = (Grid2d *) compute[field2index[i]]->get_grid_by_index(field2grid[i]);
else
grid2d = (Grid2d *) fix[field2index[i]]->get_grid_by_index(field2grid[i]);
if (i == 0) grid2d->get_size(nxgrid,nygrid);
else {
@ -651,146 +655,40 @@ int DumpGrid::parse_fields(int narg, char **arg)
char *id;
int igrid,idata,index;
int iflag =
utils::check_grid_reference((char *) "Dump grid",
arg[iarg],igrid,idata,index,lmp);
arg[iarg],nevery,id,igrid,idata,index,lmp);
// arg is not a Grid reference
// arg is not a valid Grid reference
// assume it's an additional dump grid option and return
if (iflag < 0) return iarg;
// grid reference is to a compute
// grid reference is to a compute or fix
if (iflag == ArgInfo::COMPUTE) {
// grid reference is to a fix
auto icompute = lmp->modify->get_compute_by_id(id);
field2index[iarg] = add_compute(id,icompute);
field2source[iarg] = COMPUTE;
} else if (iflag == ArgInfo::FIX) {
auto ifix = modify->get_fix_by_id(id);
field2index[iarg] = add_fix(id,ifix);
field2source[iarg] = FIX;
}
delete [] id;
argindex[iarg] = index;
vtype[iarg] = Dump::DOUBLE;
field2grid[iarg] = igrid;
field2data[iarg] = idata;
if (dimension == 2) pack_choice[iarg] = &DumpGrid::pack_grid2d;
else pack_choice[iarg] = &DumpGrid::pack_grid3d;
}
return narg;
}
/*
ArgInfo argi(arg[iarg], ArgInfo::COMPUTE | ArgInfo::FIX);
argindex[iarg] = argi.get_index1();
auto name = argi.get_name();
switch (argi.get_type()) {
case ArgInfo::UNKNOWN: {
error->all(FLERR,"Invalid attribute in dump grid command");
} break;
// compute value = c_ID
// if no trailing [], then arg is set to 0, else arg is int between []
case ArgInfo::COMPUTE: {
if (dimension == 2) pack_choice[iarg] = &DumpGrid::pack_grid2d;
else pack_choice[iarg] = &DumpGrid::pack_grid3d;
vtype[iarg] = Dump::DOUBLE;
field2source[iarg] = COMPUTE;
// split name = idcompute:gname:dname into 3 strings
auto words = utils::parse_gridid(FLERR,name,error);
const auto &idcompute = words[0];
const auto &gname = words[1];
const auto &dname = words[2];
auto icompute = modify->get_compute_by_id(idcompute);
if (!icompute) error->all(FLERR,"Could not find dump grid compute ID: {}",idcompute);
if (icompute->pergrid_flag == 0)
error->all(FLERR,"Dump grid compute {} does not compute per-grid info",idcompute);
int dim;
int igrid = icompute->get_grid_by_name(gname,dim);
if (igrid < 0)
error->all(FLERR,"Dump grid compute {} does not recognize grid name {}",idcompute,gname);
int ncol;
int idata = icompute->get_griddata_by_name(igrid,dname,ncol);
if (idata < 0)
error->all(FLERR,"Dump grid compute {} does not recognize data name {}",idcompute,dname);
if (argi.get_dim() == 0 && ncol)
error->all(FLERR,"Dump grid compute {} data {} is not per-grid vector",idcompute,dname);
if (argi.get_dim() && ncol == 0)
error->all(FLERR,"Dump grid compute {} data {} is not per-grid array",idcompute,dname);
if (argi.get_dim() && argi.get_index1() > ncol)
error->all(FLERR,"Dump grid compute {} array {} is accessed out-of-range",idcompute,dname);
field2index[iarg] = add_compute(idcompute,icompute);
field2grid[iarg] = igrid;
field2data[iarg] = idata;
} break;
// fix value = f_ID
// if no trailing [], then arg is set to 0, else arg is between []
case ArgInfo::FIX: {
if (dimension == 2) pack_choice[iarg] = &DumpGrid::pack_grid2d;
else pack_choice[iarg] = &DumpGrid::pack_grid3d;
vtype[iarg] = Dump::DOUBLE;
field2source[iarg] = FIX;
// split name = idfix:gname:dname into 3 strings
auto words = utils::parse_gridid(FLERR,name,error);
const auto &idfix = words[0];
const auto &gname = words[1];
const auto &dname = words[2];
auto ifix = modify->get_fix_by_id(idfix);
if (!ifix) error->all(FLERR,"Could not find dump grid fix ID: {}",idfix);
if (ifix->pergrid_flag == 0)
error->all(FLERR,"Dump grid fix {} does not compute per-grid info",idfix);
if (nevery % ifix->pergrid_freq)
error->all(FLERR,"Fix ID {} for dump grid not computed at compatible time",idfix);
int dim;
int igrid = ifix->get_grid_by_name(gname,dim);
if (igrid < 0)
error->all(FLERR,"Dump grid fix {} does not recognize grid name {}",idfix,gname);
int ncol;
int idata = ifix->get_griddata_by_name(igrid,dname,ncol);
if (idata < 0)
error->all(FLERR,"Dump grid fix {} does not recognize data name {}",idfix,dname);
if (argi.get_dim() == 0 && ncol)
error->all(FLERR,"Dump grid fix {} data {} is not per-grid vector",idfix,dname);
if (argi.get_dim() > 0 && ncol == 0)
error->all(FLERR,"Dump grid fix {} data {} is not per-grid array",idfix,dname);
if (argi.get_dim() > 0 && argi.get_index1() > ncol)
error->all(FLERR,"Dump grid fix {} array {} is accessed out-of-range",idfix,dname);
field2index[iarg] = add_fix(idfix,ifix);
field2grid[iarg] = igrid;
field2data[iarg] = idata;
} break;
// no match
default: {
return iarg;
} break;
}
}
return narg;
}
*/
/* ----------------------------------------------------------------------
add Compute to list of Compute objects used by dump
return index of where this Compute is in list