ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

modernize and simplify

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-08-11 03:45:36 -04:00
parent aab62d5ed9
commit 91b98484ad
4 changed files with 41 additions and 68 deletions
Download Patch File Download Diff File Expand all files Collapse all files

44
src/library.cpp
View File

@ -4761,43 +4761,19 @@ int lammps_has_id(void *handle, const char *category, const char *name) {
auto lmp = (LAMMPS *) handle;
if (strcmp(category,"compute") == 0) {
int ncompute = lmp->modify->ncompute;
Compute **compute = lmp->modify->compute;
for (int i=0; i < ncompute; ++i) {
if (strcmp(name,compute[i]->id) == 0) return 1;
}
if (lmp->modify->get_compute_by_id(name)) return 1;
} else if (strcmp(category,"dump") == 0) {
int ndump = lmp->output->ndump;
Dump **dump = lmp->output->dump;
for (int i=0; i < ndump; ++i) {
if (strcmp(name,dump[i]->id) == 0) return 1;
}
if (lmp->output->get_dump_by_id(name)) return 1;
} else if (strcmp(category,"fix") == 0) {
for (auto &ifix : lmp->modify->get_fix_list()) {
if (strcmp(name,ifix->id) == 0) return 1;
}
if (lmp->modify->get_fix_by_id(name)) return 1;
} else if (strcmp(category,"group") == 0) {
int ngroup = lmp->group->ngroup;
char **groups = lmp->group->names;
for (int i=0; i < ngroup; ++i) {
if (strcmp(groups[i],name) == 0) return 1;
}
if (lmp->group->find(name) >= 0) return 1;
} else if (strcmp(category,"molecule") == 0) {
int nmolecule = lmp->atom->nmolecule;
Molecule **molecule = lmp->atom->molecules;
for (int i=0; i < nmolecule; ++i) {
if (strcmp(name,molecule[i]->id) == 0) return 1;
}
if (lmp->atom->find_molecule(name) >= 0) return 1;
} else if (strcmp(category,"region") == 0) {
for (auto &reg : lmp->domain->get_region_list()) {
if (strcmp(name,reg->id) == 0) return 1;
}
if (lmp->domain->get_region_by_id(name)) return 1;
} else if (strcmp(category,"variable") == 0) {
int nvariable = lmp->input->variable->nvar;
char **varnames = lmp->input->variable->names;
for (int i=0; i < nvariable; ++i) {
if (strcmp(name,varnames[i]) == 0) return 1;
}
if (lmp->input->variable->find(name) >= 0) return 1;
}
return 0;
}
@ -4823,11 +4799,11 @@ categories.
int lammps_id_count(void *handle, const char *category) {
auto lmp = (LAMMPS *) handle;
if (strcmp(category,"compute") == 0) {
return lmp->modify->ncompute;
return lmp->modify->get_compute_list().size();
} else if (strcmp(category,"dump") == 0) {
return lmp->output->ndump;
return lmp->output->get_dump_list().size();
} else if (strcmp(category,"fix") == 0) {
return lmp->modify->nfix;
return lmp->modify->get_fix_list().size();
} else if (strcmp(category,"group") == 0) {
return lmp->group->ngroup;
} else if (strcmp(category,"molecule") == 0) {