interface between dump grid and fixes
This commit is contained in:
Steve Plimpton
@ -19,6 +19,8 @@
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#include "domain.h"
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#include "error.h"
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#include "fix.h"
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#include "grid2d.h"
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#include "grid3d.h"
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#include "memory.h"
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#include "modify.h"
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#include "region.h"
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@ -628,21 +630,23 @@ int DumpGrid::parse_fields(int narg, char **arg)
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switch (argi.get_type()) {
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case ArgInfo::UNKNOWN:
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error->all(FLERR,"Invalid attribute in dump grid command");
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break;
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// compute value = c_ID
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// if no trailing [], then arg is set to 0, else arg is int between []
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case ArgInfo::UNKNOWN: {
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error->all(FLERR,"Invalid attribute in dump grid command");
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} break;
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// compute value = c_ID
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// if no trailing [], then arg is set to 0, else arg is int between []
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case ArgInfo::COMPUTE:
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pack_choice[iarg] = &DumpGrid::pack_compute;
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vtype[iarg] = Dump::DOUBLE;
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icompute = modify->get_compute_by_id(name);
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if (!icompute) error->all(FLERR,"Could not find dump grid compute ID: {}",name);
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if (icompute->pergrid_flag == 0)
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error->all(FLERR,"Dump grid compute {} does not compute per-grid info",name);
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case ArgInfo::COMPUTE: {
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pack_choice[iarg] = &DumpGrid::pack_compute;
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vtype[iarg] = Dump::DOUBLE;
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icompute = modify->get_compute_by_id(name);
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if (!icompute)
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error->all(FLERR,"Could not find dump grid compute ID: {}",name);
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if (icompute->pergrid_flag == 0)
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error->all(FLERR,"Dump grid compute {} does not compute per-grid info",
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name);
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/*
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if (argi.get_dim() == 0 && icompute->size_pergrid_cols > 0)
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error->all(FLERR,"Dump grid compute {} does not calculate per-grid vector",name);
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@ -652,80 +656,95 @@ int DumpGrid::parse_fields(int narg, char **arg)
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error->all(FLERR,"Dump grid compute {} vector is accessed out-of-range",name);
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*/
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field2index[iarg] = add_compute(name);
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break;
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field2index[iarg] = add_compute(name);
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} break;
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// fix value = f_ID
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// if no trailing [], then arg is set to 0, else arg is between []
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case ArgInfo::FIX:
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pack_choice[iarg] = &DumpGrid::pack_fix;
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vtype[iarg] = Dump::DOUBLE;
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// fix value = f_ID
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// if no trailing [], then arg is set to 0, else arg is between []
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// name = idfix:gname:fname, split into 3 strings
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case ArgInfo::FIX: {
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pack_choice[iarg] = &DumpGrid::pack_fix;
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vtype[iarg] = Dump::DOUBLE;
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char *ptr = strchr(name,':');
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if (!ptr) error->all(FLERR,"Dump grid fix {} does not contain 2 ':' chars");
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*ptr = '\0';
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int n = strlen(name) + 1;
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char *gname = new char[n];
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strcpy(gname,name);
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char *ptr2 = strchr(ptr+1,':');
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if (!ptr) error->all(FLERR,"Dump grid fix {} does not contain 2 ':' chars");
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int n = strlen(ptr+1) + 1;
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char *fname = new char[n];
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strcpy(fname,ptr+1);
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*ptr = ':';
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*ptr2 = ':';
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// name = idfix:gname:fname, split into 3 strings
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// error check
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char *ptr1 = strchr((char *) name,':');
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if (!ptr1)
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error->all(FLERR,"Dump grid fix {} does not contain 2 ':' chars");
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*ptr1 = '\0';
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char *ptr2 = strchr(ptr1+1,':');
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if (!ptr2)
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error->all(FLERR,"Dump grid fix {} does not contain 2 ':' chars");
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*ptr2 = '\0';
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ifix = modify->get_fix_by_id(idfix);
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if (!ifix) error->all(FLERR,"Could not find dump grid fix ID: {}",idfix);
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if (ifix->pergrid_flag == 0)
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error->all(FLERR,"Dump grid fix {} does not compute per-atom info",idfix);
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int n = strlen(name) + 1;
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char *idfix = new char[n];
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strcpy(idfix,name);
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n = strlen(ptr1+1) + 1;
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char *gname = new char[n];
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strcpy(gname,ptr1+1);
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n = strlen(ptr2+1) + 1;
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char *fname = new char[n];
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strcpy(fname,ptr2+1);
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*ptr1 = ':';
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*ptr2 = ':';
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// error check
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ifix = modify->get_fix_by_id(idfix);
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if (!ifix) error->all(FLERR,"Could not find dump grid fix ID: {}",idfix);
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if (ifix->pergrid_flag == 0)
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error->all(FLERR,"Dump grid fix {} does not compute per-grid info",
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idfix);
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int dim;
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void *grid = ifix->grid_find_name(gname,dim);
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if (!grid) error->all(FLERR,"Dump grid fix {} does not recognize grid {}",
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idfix,gname);
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int dim;
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void *ggrid = ifix->grid_find_name(gname,dim);
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if (!ggrid)
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error->all(FLERR,"Dump grid fix {} does not recognize grid name {}",
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idfix,gname);
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Grid2d *grid2d;
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Grid3d *grid3d;
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if (dim == 2) grid2d = (Grid2d *) grid;
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if (dim == 3) grid2d = (Grid3d *) grid;
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Grid2d *grid2d;
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Grid3d *grid3d;
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if (dim == 2) grid2d = (Grid2d *) ggrid;
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if (dim == 3) grid3d = (Grid3d *) ggrid;
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int ncol;
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void *field = ifix->grid_find_field(fname,ncol);
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if (!grid) error->all(FLERR,"Dump grid fix {} does not recognize field {}",
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idfix,fname);
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int ncol;
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void *gfield = ifix->grid_find_field(fname,ncol);
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if (!gfield)
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error->all(FLERR,"Dump grid fix {} does not recognize field name {}",
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idfix,fname);
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if (argi.get_dim() == 0 && ncol)
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error->all(FLERR,"Dump grid fix {} field {} is not per-grid vector",
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idfix,fname);
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if (argi.get_dim() > 0 && ncol == 0)
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error->all(FLERR,"Dump grid fix {} field {} is not per-grid array",
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idfix,fname);
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if (argi.get_dim() > 0 && argi.get_index1() > ncol)
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error->all(FLERR,"Dump grid fix {} array {} is accessed out-of-range",
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idfix,fname);
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if (ncol == 0) {
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if (dim == 2) vec2d = (double **) field;
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if (dim == 3) vec3d = (double ***) field;
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} else if (ncol) {
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if (dim == 2) array2d = (double ***) field;
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if (dim == 3) array3d = (double ****) field;
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}
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if (argi.get_dim() == 0 && ncol)
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error->all(FLERR,"Dump grid fix {} field {} is not per-grid vector",
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idfix,fname);
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if (argi.get_dim() > 0 && ncol == 0)
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error->all(FLERR,"Dump grid fix {} field {} is not per-grid array",
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idfix,fname);
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if (argi.get_dim() > 0 && argi.get_index1() > ncol)
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error->all(FLERR,"Dump grid fix {} array {} is accessed out-of-range",
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idfix,fname);
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double **vec2d;
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double ***vec3d;
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double ***array2d;
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double ****array3d;
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if (ncol == 0) {
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if (dim == 2) vec2d = (double **) gfield;
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if (dim == 3) vec3d = (double ***) gfield;
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} else if (ncol) {
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if (dim == 2) array2d = (double ***) gfield;
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if (dim == 3) array3d = (double ****) gfield;
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}
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field2index[iarg] = add_fix(idfix);
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break;
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field2index[iarg] = add_fix(idfix);
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} break;
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// no match
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default:
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return iarg;
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break;
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// no match
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default: {
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return iarg;
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} break;
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}
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}
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