diff options
| author | Magnus Lundborg <magnus.lundborg@scilifelab.se> | 2013-01-14 13:02:17 (GMT) |
|---|---|---|
| committer | Magnus Lundborg <magnus.lundborg@scilifelab.se> | 2013-01-14 13:02:17 (GMT) |
| commit | b94471a09f76b28bc77af1d3d8469fc72674e7f8 (patch) | |
| tree | 9bce56c1b440762e8a88262ebbabfd2a48ad8eea /src/tests/tng_io_read_pos.c | |
| parent | 04d1b62313b529a521f2a961b61fc21210d0c406 (diff) | |
Added functions to get residue and chain names from atom number.
Diffstat (limited to 'src/tests/tng_io_read_pos.c')
| -rw-r--r-- | src/tests/tng_io_read_pos.c | 10 |
1 files changed, 7 insertions, 3 deletions
diff --git a/src/tests/tng_io_read_pos.c b/src/tests/tng_io_read_pos.c index 5d3be64..54193eb 100644 --- a/src/tests/tng_io_read_pos.c +++ b/src/tests/tng_io_read_pos.c @@ -12,7 +12,7 @@ int main(int argc, char **argv) int64_t particle = 0; // Set a default frame range int first_frame = 0, last_frame = 50; - char name[64]; + char atom_name[64], res_name[64]; if(argc <= 1) { @@ -50,10 +50,14 @@ int main(int argc, char **argv) n_frames = last_frame - first_frame + 1; - if(tng_atom_name_of_particle_nr_get(traj, particle, name, sizeof(name)) == + if(tng_atom_name_of_particle_nr_get(traj, particle, atom_name, + sizeof(atom_name)) == + TNG_SUCCESS && + tng_residue_name_of_particle_nr_get(traj, particle, res_name, + sizeof(res_name)) == TNG_SUCCESS) { - printf("Particle: %s\n", name); + printf("Particle: %s (%s)\n", atom_name, res_name); } else { |