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fix indexing bug in dump vtk that would ignore the first 5 custom properties

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This commit is contained in:
Axel Kohlmeyer
2025-01-08 08:19:09 -05:00
parent 42adfc1ae3
commit d66d1a2dd2
1 changed files with 27 additions and 28 deletions
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55
src/VTK/dump_vtk.cpp
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@ -1540,9 +1540,8 @@ int DumpVTK::parse_fields(int narg, char **arg)
name[Z] = "z";
// customize by adding to if statement
int i;
for (int iarg = 5; iarg < narg; iarg++) {
i = iarg-5;
for (int iarg = 0; iarg < narg; iarg++) {
if (strcmp(arg[iarg],"id") == 0) {
pack_choice[ID] = &DumpVTK::pack_id;
@ -1766,7 +1765,7 @@ int DumpVTK::parse_fields(int narg, char **arg)
int n,flag,cols;
ArgInfo argi(arg[iarg],ArgInfo::COMPUTE|ArgInfo::FIX|ArgInfo::VARIABLE
|ArgInfo::DNAME|ArgInfo::INAME);
argindex[ATTRIBUTES+i] = argi.get_index1();
argindex[ATTRIBUTES+iarg] = argi.get_index1();
auto aname = argi.get_name();
switch (argi.get_type()) {
@ -1779,8 +1778,8 @@ int DumpVTK::parse_fields(int narg, char **arg)
// if no trailing [], then arg is set to 0, else arg is int between []
case ArgInfo::COMPUTE:
pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_compute;
vtype[ATTRIBUTES+i] = Dump::DOUBLE;
pack_choice[ATTRIBUTES+iarg] = &DumpVTK::pack_compute;
vtype[ATTRIBUTES+iarg] = Dump::DOUBLE;
n = modify->find_compute(aname);
if (n < 0) error->all(FLERR,"Could not find dump vtk compute ID: {}",aname);
@ -1794,16 +1793,16 @@ int DumpVTK::parse_fields(int narg, char **arg)
argi.get_index1() > modify->compute[n]->size_peratom_cols)
error->all(FLERR,"Dump vtk compute {} vector is accessed out-of-range",aname);
field2index[ATTRIBUTES+i] = add_compute(aname);
name[ATTRIBUTES+i] = arg[iarg];
field2index[ATTRIBUTES+iarg] = add_compute(aname);
name[ATTRIBUTES+iarg] = arg[iarg];
break;
// fix value = f_ID
// if no trailing [], then arg is set to 0, else arg is between []
case ArgInfo::FIX:
pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_fix;
vtype[ATTRIBUTES+i] = Dump::DOUBLE;
pack_choice[ATTRIBUTES+iarg] = &DumpVTK::pack_fix;
vtype[ATTRIBUTES+iarg] = Dump::DOUBLE;
n = modify->find_fix(aname);
if (n < 0) error->all(FLERR,"Could not find dump vtk fix ID: {}",aname);
@ -1817,69 +1816,69 @@ int DumpVTK::parse_fields(int narg, char **arg)
argi.get_index1() > modify->fix[n]->size_peratom_cols)
error->all(FLERR,"Dump vtk fix {} vector is accessed out-of-range",aname);
field2index[ATTRIBUTES+i] = add_fix(aname);
name[ATTRIBUTES+i] = arg[iarg];
field2index[ATTRIBUTES+iarg] = add_fix(aname);
name[ATTRIBUTES+iarg] = arg[iarg];
break;
// variable value = v_name
case ArgInfo::VARIABLE:
pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_variable;
vtype[ATTRIBUTES+i] = Dump::DOUBLE;
pack_choice[ATTRIBUTES+iarg] = &DumpVTK::pack_variable;
vtype[ATTRIBUTES+iarg] = Dump::DOUBLE;
n = input->variable->find(aname);
if (n < 0) error->all(FLERR,"Could not find dump vtk variable name {}",aname);
if (input->variable->atomstyle(n) == 0)
error->all(FLERR,"Dump vtk variable {} is not atom-style variable",aname);
field2index[ATTRIBUTES+i] = add_variable(aname);
name[ATTRIBUTES+i] = arg[iarg];
field2index[ATTRIBUTES+iarg] = add_variable(aname);
name[ATTRIBUTES+iarg] = arg[iarg];
break;
// custom per-atom floating point vector or array = d_ID d2_ID
case ArgInfo::DNAME:
pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_custom;
vtype[ATTRIBUTES+i] = Dump::DOUBLE;
pack_choice[ATTRIBUTES+iarg] = &DumpVTK::pack_custom;
vtype[ATTRIBUTES+iarg] = Dump::DOUBLE;
n = atom->find_custom(aname,flag,cols);
if (n < 0)
error->all(FLERR,"Could not find custom per-atom property ID: {}", aname);
if (argindex[ATTRIBUTES+i] == 0) {
if (argindex[ATTRIBUTES+iarg] == 0) {
if (!flag || cols)
error->all(FLERR,"Property double vector {} for dump vtk does not exist",aname);
} else {
if (!flag || !cols)
error->all(FLERR,"Property double array {} for dump vtk does not exist",aname);
if (argindex[ATTRIBUTES+i] > atom->dcols[n])
if (argindex[ATTRIBUTES+iarg] > atom->dcols[n])
error->all(FLERR,"Dump vtk property array {} is accessed out-of-range",aname);
}
field2index[ATTRIBUTES+i] = add_custom(aname,1);
name[ATTRIBUTES+i] = arg[iarg];
field2index[ATTRIBUTES+iarg] = add_custom(aname,1);
name[ATTRIBUTES+iarg] = arg[iarg];
break;
// custom per-atom integer vector or array = i_ID or i2_ID
case ArgInfo::INAME:
pack_choice[ATTRIBUTES+i] = &DumpVTK::pack_custom;
vtype[ATTRIBUTES+i] = Dump::INT;
pack_choice[ATTRIBUTES+iarg] = &DumpVTK::pack_custom;
vtype[ATTRIBUTES+iarg] = Dump::INT;
n = atom->find_custom(aname,flag,cols);
if (n < 0)
error->all(FLERR,"Could not find custom per-atom property ID: {}", aname);
if (argindex[ATTRIBUTES+i] == 0) {
if (argindex[ATTRIBUTES+iarg] == 0) {
if (flag || cols)
error->all(FLERR,"Property integer vector {} for dump vtk does not exist",aname);
} else {
if (flag || !cols)
error->all(FLERR,"Property integer array {} for dump vtk does not exist",aname);
if (argindex[ATTRIBUTES+i] > atom->icols[n])
if (argindex[ATTRIBUTES+iarg] > atom->icols[n])
error->all(FLERR,"Dump vtk property array {} is accessed out-of-range",aname);
}
field2index[ATTRIBUTES+i] = add_custom(aname,0);
name[ATTRIBUTES+i] = arg[iarg];
field2index[ATTRIBUTES+iarg] = add_custom(aname,0);
name[ATTRIBUTES+iarg] = arg[iarg];
break;
// no match