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modernize accessor handling

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This commit is contained in:
Axel Kohlmeyer
2022-09-01 16:03:02 -04:00
parent 7bba3c516f
commit d503e441ff
1 changed files with 31 additions and 43 deletions
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74
src/fix_ave_chunk.cpp
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@ -260,45 +260,36 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
for (int i = 0; i < nvalues; i++) {
if (which[i] == ArgInfo::COMPUTE) {
int icompute = modify->find_compute(ids[i]);
if (icompute < 0)
error->all(FLERR,"Compute ID for fix ave/chunk does not exist");
if (modify->compute[icompute]->peratom_flag == 0)
error->all(FLERR,"Fix ave/chunk compute does not "
"calculate per-atom values");
if (argindex[i] == 0 &&
modify->compute[icompute]->size_peratom_cols != 0)
error->all(FLERR,"Fix ave/chunk compute does not "
"calculate a per-atom vector");
if (argindex[i] && modify->compute[icompute]->size_peratom_cols == 0)
error->all(FLERR,"Fix ave/chunk compute does not "
"calculate a per-atom array");
if (argindex[i] &&
argindex[i] > modify->compute[icompute]->size_peratom_cols)
error->all(FLERR,
"Fix ave/chunk compute vector is accessed out-of-range");
auto icompute = modify->get_compute_by_id(ids[i]);
if (!icompute)
error->all(FLERR,"Compute ID {} for fix ave/chunk does not exist",ids[i]);
if (icompute->peratom_flag == 0)
error->all(FLERR,"Fix ave/chunk compute {} does not calculate per-atom values",ids[i]);
if (argindex[i] == 0 && (icompute->size_peratom_cols != 0))
error->all(FLERR,"Fix ave/chunk compute {} does not calculate a per-atom vector",ids[i]);
if (argindex[i] && (icompute->size_peratom_cols == 0))
error->all(FLERR,"Fix ave/chunk compute {} does not calculate a per-atom array",ids[i]);
if (argindex[i] && (argindex[i] > icompute->size_peratom_cols))
error->all(FLERR,"Fix ave/chunk compute {} vector is accessed out-of-range",ids[i]);
} else if (which[i] == ArgInfo::FIX) {
int ifix = modify->find_fix(ids[i]);
if (ifix < 0)
error->all(FLERR,"Fix ID for fix ave/chunk does not exist");
if (modify->fix[ifix]->peratom_flag == 0)
error->all(FLERR,
"Fix ave/chunk fix does not calculate per-atom values");
if (argindex[i] == 0 && modify->fix[ifix]->size_peratom_cols != 0)
error->all(FLERR,
"Fix ave/chunk fix does not calculate a per-atom vector");
if (argindex[i] && modify->fix[ifix]->size_peratom_cols == 0)
error->all(FLERR,
"Fix ave/chunk fix does not calculate a per-atom array");
if (argindex[i] && argindex[i] > modify->fix[ifix]->size_peratom_cols)
error->all(FLERR,"Fix ave/chunk fix vector is accessed out-of-range");
auto ifix = modify->get_fix_by_id(ids[i]);
if (!ifix)
error->all(FLERR, "Fix ID {} for fix ave/chunk does not exist",ids[i]);
if (ifix->peratom_flag == 0)
error->all(FLERR, "Fix ave/chunk fix {} does not calculate per-atom values",ids[i]);
if (argindex[i] == 0 && (ifix->size_peratom_cols != 0))
error->all(FLERR, "Fix ave/chunk fix {} does not calculate a per-atom vector",ids[i]);
if (argindex[i] && (ifix->size_peratom_cols == 0))
error->all(FLERR, "Fix ave/chunk fix {} does not calculate a per-atom array",ids[i]);
if (argindex[i] && argindex[i] > ifix->size_peratom_cols)
error->all(FLERR,"Fix ave/chunk fix {} vector is accessed out-of-range",ids[i]);
} else if (which[i] == ArgInfo::VARIABLE) {
int ivariable = input->variable->find(ids[i]);
if (ivariable < 0)
error->all(FLERR,"Variable name for fix ave/chunk does not exist");
error->all(FLERR,"Variable name {} for fix ave/chunk does not exist",ids[i]);
if (input->variable->atomstyle(ivariable) == 0)
error->all(FLERR,"Fix ave/chunk variable is not atom-style variable");
error->all(FLERR,"Fix ave/chunk variable {} is not atom-style variable",ids[i]);
}
}
@ -306,14 +297,12 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
// only if nrepeat > 1 or ave = RUNNING/WINDOW,
// so that locking spans multiple timesteps
int icompute = modify->find_compute(idchunk);
if (icompute < 0)
error->all(FLERR,"Chunk/atom compute does not exist for fix ave/chunk");
cchunk = dynamic_cast<ComputeChunkAtom *>( modify->compute[icompute]);
if (strcmp(cchunk->style,"chunk/atom") != 0)
error->all(FLERR,"Fix ave/chunk does not use chunk/atom compute");
cchunk = dynamic_cast<ComputeChunkAtom *>(modify->get_compute_by_id(idchunk));
if (!cchunk)
error->all(FLERR,"Chunk/atom compute {} does not exist or is "
"incorrect style for fix ave/chunk",idchunk);
if (nrepeat > 1 || ave == RUNNING || ave == WINDOW) cchunk->lockcount++;
if ((nrepeat > 1) || (ave == RUNNING) || (ave == WINDOW)) cchunk->lockcount++;
lockforever = 0;
// print file comment lines
@ -430,9 +419,8 @@ FixAveChunk::~FixAveChunk()
// decrement lock counter in compute chunk/atom, it if still exists
if (nrepeat > 1 || ave == RUNNING || ave == WINDOW) {
int icompute = modify->find_compute(idchunk);
if (icompute >= 0) {
cchunk = dynamic_cast<ComputeChunkAtom *>( modify->compute[icompute]);
cchunk = dynamic_cast<ComputeChunkAtom *>(modify->get_compute_by_id(idchunk));
if (cchunk) {
if (ave == RUNNING || ave == WINDOW) cchunk->unlock(this);
cchunk->lockcount--;
}