diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/lib/tng_io.c | 10 |
1 files changed, 7 insertions, 3 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index 9dc065f..f065aff 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -5958,7 +5958,7 @@ tng_function_status tng_molecule_cnt_set(tng_trajectory_t tng_data, tng_function_status tng_molecule_chain_find(tng_trajectory_t tng_data, tng_molecule_t molecule, const char *name, - int64_t id, + int64_t nr, tng_chain_t *chain) { int i, n_chains; @@ -5970,7 +5970,7 @@ tng_function_status tng_molecule_chain_find(tng_trajectory_t tng_data, *chain = &molecule->chains[i]; if(name[0] != 0 || strcmp(name, (*chain)->name) == 0) { - if(id == -1 || id == (*chain)->id) + if(nr == -1 || nr == (*chain)->id) { return(TNG_SUCCESS); } @@ -6052,6 +6052,7 @@ tng_function_status tng_chain_name_set(tng_trajectory_t tng_data, tng_function_status tng_chain_residue_find(tng_trajectory_t tng_data, tng_chain_t chain, const char *name, + int64_t nr, tng_residue_t *residue) { int i, n_residues; @@ -6063,7 +6064,10 @@ tng_function_status tng_chain_residue_find(tng_trajectory_t tng_data, *residue = &chain->residues[i]; if(name[0] != 0 || strcmp(name, (*residue)->name) == 0) { - return(TNG_SUCCESS); + if(nr == -1 || nr == (*residue)->id) + { + return(TNG_SUCCESS); + } } } |