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hooks from dump grid to fix

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This commit is contained in:
Steve Plimpton
2022-07-19 14:02:05 -06:00
parent 7dc478e201
commit f69be2791b
2 changed files with 58 additions and 13 deletions
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68
src/dump_grid.cpp
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@ -657,26 +657,68 @@ int DumpGrid::parse_fields(int narg, char **arg)
// fix value = f_ID
// if no trailing [], then arg is set to 0, else arg is between []
case ArgInfo::FIX:
pack_choice[iarg] = &DumpGrid::pack_fix;
vtype[iarg] = Dump::DOUBLE;
ifix = modify->get_fix_by_id(name);
if (!ifix) error->all(FLERR,"Could not find dump grid fix ID: {}",name);
// name = idfix:gname:fname, split into 3 strings
char *ptr = strchr(name,':');
if (!ptr) error->all(FLERR,"Dump grid fix {} does not contain 2 ':' chars");
*ptr = '\0';
int n = strlen(name) + 1;
char *gname = new char[n];
strcpy(gname,name);
char *ptr2 = strchr(ptr+1,':');
if (!ptr) error->all(FLERR,"Dump grid fix {} does not contain 2 ':' chars");
int n = strlen(ptr+1) + 1;
char *fname = new char[n];
strcpy(fname,ptr+1);
*ptr = ':';
*ptr2 = ':';
// error check
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-atom info",name);
error->all(FLERR,"Dump grid fix {} does not compute per-atom info",idfix);
/*
if (argi.get_dim() == 0 && ifix->size_pergrid_cols > 0)
error->all(FLERR,"Dump grid fix {} does not compute per-atom vector",name);
if (argi.get_dim() > 0 && ifix->size_pergrid_cols == 0)
error->all(FLERR,"Dump grid fix {} does not compute per-atom array",name);
if (argi.get_dim() > 0 && argi.get_index1() > ifix->size_pergrid_cols)
error->all(FLERR,"Dump grid fix {} vector is accessed out-of-range",name);
*/
int dim;
void *grid = ifix->grid_find_name(gname,dim);
if (!grid) error->all(FLERR,"Dump grid fix {} does not recognize grid {}",
idfix,gname);
field2index[iarg] = add_fix(name);
Grid2d *grid2d;
Grid3d *grid3d;
if (dim == 2) grid2d = (Grid2d *) grid;
if (dim == 3) grid2d = (Grid3d *) grid;
int ncol;
void *field = ifix->grid_find_field(fname,ncol);
if (!grid) error->all(FLERR,"Dump grid fix {} does not recognize field {}",
idfix,fname);
if (argi.get_dim() == 0 && ncol)
error->all(FLERR,"Dump grid fix {} field {} is not per-grid vector",
idfix,fname);
if (argi.get_dim() > 0 && ncol == 0)
error->all(FLERR,"Dump grid fix {} field {} is not per-grid array",
idfix,fname);
if (argi.get_dim() > 0 && argi.get_index1() > ncol)
error->all(FLERR,"Dump grid fix {} array {} is accessed out-of-range",
idfix,fname);
if (ncol == 0) {
if (dim == 2) vec2d = (double **) field;
if (dim == 3) vec3d = (double ***) field;
} else if (ncol) {
if (dim == 2) array2d = (double ***) field;
if (dim == 3) array3d = (double ****) field;
}
field2index[iarg] = add_fix(idfix);
break;
// no match