ICODE-ADC/lammps
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complete region handling refactor

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This commit is contained in:
Axel Kohlmeyer
2022-04-16 00:12:43 -04:00
parent cbb4abc55c
commit aa4787f604
39 changed files with 1504 additions and 1664 deletions
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16
src/library.cpp
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@ -4772,10 +4772,8 @@ int lammps_has_id(void *handle, const char *category, const char *name) {
if (strcmp(name,molecule[i]->id) == 0) return 1;
}
} else if (strcmp(category,"region") == 0) {
int nregion = lmp->domain->nregion;
Region **region = lmp->domain->regions;
for (int i=0; i < nregion; ++i) {
if (strcmp(name,region[i]->id) == 0) return 1;
for (auto &reg : lmp->domain->get_region_list()) {
if (strcmp(name,reg->id) == 0) return 1;
}
} else if (strcmp(category,"variable") == 0) {
int nvariable = lmp->input->variable->nvar;
@ -4818,7 +4816,7 @@ int lammps_id_count(void *handle, const char *category) {
} else if (strcmp(category,"molecule") == 0) {
return lmp->atom->nmolecule;
} else if (strcmp(category,"region") == 0) {
return lmp->domain->nregion;
return lmp->domain->get_region_list().size();
} else if (strcmp(category,"variable") == 0) {
return lmp->input->variable->nvar;
}
@ -4848,8 +4846,7 @@ set to an empty string, otherwise 1.
* \param buf_size size of the provided string buffer
* \return 1 if successful, otherwise 0
*/
int lammps_id_name(void *handle, const char *category, int idx,
char *buffer, int buf_size) {
int lammps_id_name(void *handle, const char *category, int idx, char *buffer, int buf_size) {
auto lmp = (LAMMPS *) handle;
if (strcmp(category,"compute") == 0) {
@ -4878,8 +4875,9 @@ int lammps_id_name(void *handle, const char *category, int idx,
return 1;
}
} else if (strcmp(category,"region") == 0) {
if ((idx >=0) && (idx < lmp->domain->nregion)) {
strncpy(buffer, lmp->domain->regions[idx]->id, buf_size);
auto regions = lmp->domain->get_region_list();
if ((idx >=0) && (idx < (int) regions.size())) {
strncpy(buffer, regions[idx]->id, buf_size);
return 1;
}
} else if (strcmp(category,"variable") == 0) {