diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/lib/tng_io.c | 23 |
1 files changed, 23 insertions, 0 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index b4a65ae..ef4d14a 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -5850,6 +5850,29 @@ tng_function_status tng_chain_name_set(tng_trajectory_t tng_data, return(TNG_SUCCESS); } +tng_function_status tng_chain_residue_find(tng_trajectory_t tng_data, + tng_chain_t chain, + const char *name, + tng_residue_t *residue) +{ + int i, n_residues; + + n_residues = chain->n_residues; + + for(i = 0; i < n_residues; i++) + { + *residue = &chain->residues[i]; + if(name[0] != 0 || strcmp(name, (*residue)->name) == 0) + { + return(TNG_SUCCESS); + } + } + + *residue = 0; + + return(TNG_FAILURE); +} + tng_function_status tng_chain_residue_add(tng_trajectory_t tng_data, tng_chain_t chain, const char *name, |