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reimplement utils::gridid_parse() function and update related code

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This commit is contained in:
Axel Kohlmeyer
2022-08-17 13:03:31 -04:00
parent a6a37021a9
commit 22a9bfebe5
12 changed files with 174 additions and 209 deletions
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106
src/dump_grid.cpp
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@ -44,8 +44,7 @@ DumpGrid::DumpGrid(LAMMPS *lmp, int narg, char **arg) :
Dump(lmp, narg, arg), idregion(nullptr), earg(nullptr), vtype(nullptr),
vformat(nullptr), columns(nullptr), columns_default(nullptr),
field2index(nullptr), field2grid(nullptr), field2data(nullptr),
argindex(nullptr), id_compute(nullptr), compute(nullptr),
id_fix(nullptr), fix(nullptr), pack_choice(nullptr)
argindex(nullptr), id_compute(nullptr), id_fix(nullptr), pack_choice(nullptr)
{
if (narg == 5) error->all(FLERR,"No dump grid arguments specified");
@ -160,11 +159,9 @@ DumpGrid::~DumpGrid()
for (int i = 0; i < ncompute; i++) delete[] id_compute[i];
memory->sfree(id_compute);
delete[] compute;
for (int i = 0; i < nfix; i++) delete[] id_fix[i];
memory->sfree(id_fix);
delete[] fix;
if (vformat) {
for (int i = 0; i < nfield; i++) delete[] vformat[i];
@ -668,12 +665,9 @@ int DumpGrid::parse_fields(int narg, char **arg)
for (int iarg = 0; iarg < narg; iarg++) {
int n,flag,cols;
ArgInfo argi(arg[iarg], ArgInfo::COMPUTE | ArgInfo::FIX);
argindex[iarg] = argi.get_index1();
auto name = argi.get_name();
Compute *icompute = nullptr;
Fix *ifix = nullptr;
switch (argi.get_type()) {
@ -691,50 +685,38 @@ int DumpGrid::parse_fields(int narg, char **arg)
field2source[iarg] = COMPUTE;
// split name = idcompute:gname:dname into 3 strings
auto words = utils::gridid_parse(FLERR,name,error);
const auto &idcompute = words[0];
const auto &gname = words[1];
const auto &dname = words[2];
char *idcompute,*gname,*dname;
utils::grid_parse(FLERR,name,idcompute,gname,dname,error);
icompute = modify->get_compute_by_id(idcompute);
if (!icompute)
error->all(FLERR,"Could not find dump grid compute ID: {}",idcompute);
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);
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);
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);
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);
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);
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);
error->all(FLERR,"Dump grid compute {} array {} is accessed out-of-range",idcompute,dname);
field2index[iarg] = add_compute(idcompute);
field2index[iarg] = add_compute(idcompute,icompute);
field2grid[iarg] = igrid;
field2data[iarg] = idata;
delete [] idcompute;
delete [] gname;
delete [] dname;
} break;
// fix value = f_ID
@ -748,47 +730,39 @@ int DumpGrid::parse_fields(int narg, char **arg)
// split name = idfix:gname:dname into 3 strings
char *idfix,*gname,*dname;
utils::grid_parse(FLERR,name,idfix,gname,dname,error);
auto words = utils::gridid_parse(FLERR,name,error);
const auto &idfix = words[0];
const auto &gname = words[1];
const auto &dname = words[2];
ifix = modify->get_fix_by_id(idfix);
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);
error->all(FLERR,"Dump grid fix {} does not compute per-grid info",idfix);
if (update->ntimestep % ifix->pergrid_freq)
error->all(FLERR,"Fix for dump grid not computed at compatible time");
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);
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);
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);
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);
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);
error->all(FLERR,"Dump grid fix {} array {} is accessed out-of-range",idfix,dname);
field2index[iarg] = add_fix(idfix);
field2index[iarg] = add_fix(idfix,ifix);
field2grid[iarg] = igrid;
field2data[iarg] = idata;
delete [] idfix;
delete [] gname;
delete [] dname;
} break;
// no match
@ -808,19 +782,17 @@ int DumpGrid::parse_fields(int narg, char **arg)
if already in list, do not add, just return index, else add to list
------------------------------------------------------------------------- */
int DumpGrid::add_compute(const char *id)
int DumpGrid::add_compute(const std::string &id, Compute *cptr)
{
int icompute;
for (icompute = 0; icompute < ncompute; icompute++)
if (strcmp(id,id_compute[icompute]) == 0) break;
if (id == id_compute[icompute]) break;
if (icompute < ncompute) return icompute;
id_compute = (char **)
memory->srealloc(id_compute,(ncompute+1)*sizeof(char *),"dump:id_compute");
delete[] compute;
compute = new Compute*[ncompute+1];
id_compute = (char **) memory->srealloc(id_compute,(ncompute+1)*sizeof(char *),"dump:id_compute");
id_compute[ncompute] = utils::strdup(id);
compute.push_back(cptr);
ncompute++;
return ncompute-1;
}
@ -831,19 +803,17 @@ int DumpGrid::add_compute(const char *id)
if already in list, do not add, just return index, else add to list
------------------------------------------------------------------------- */
int DumpGrid::add_fix(const char *id)
int DumpGrid::add_fix(const std::string &id, Fix *fptr)
{
int ifix;
for (ifix = 0; ifix < nfix; ifix++)
if (strcmp(id,id_fix[ifix]) == 0) break;
if (id == id_fix[ifix]) break;
if (ifix < nfix) return ifix;
id_fix = (char **)
memory->srealloc(id_fix,(nfix+1)*sizeof(char *),"dump:id_fix");
delete[] fix;
fix = new Fix*[nfix+1];
id_fix = (char **) memory->srealloc(id_fix,(nfix+1)*sizeof(char *),"dump:id_fix");
id_fix[nfix] = utils::strdup(id);
fix.push_back(fptr);
nfix++;
return nfix-1;
}