diff options
Diffstat (limited to 'include')
| -rw-r--r-- | include/tng_io.h | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/include/tng_io.h b/include/tng_io.h index 3b19a32..67ac563 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -2042,6 +2042,18 @@ tng_function_status DECLSPECDLLEXPORT tng_residue_atom_w_id_add tng_atom_t *atom); /** + * @brief Get the residue of an atom. + * @param tng_data the trajectory containing the atom. + * @param atom the atom of which to get the name. + * @param residue is set to the residue of the atom. + * @pre \code atom != 0 \endcode The atom must not be NULL. + * @return TNG_SUCCESS (0) if successful. + */ +tng_function_status tng_atom_residue_get(tng_trajectory_t tng_data, + const tng_atom_t atom, + tng_residue_t *residue); + +/** * @brief Get the name of an atom. * @param tng_data the trajectory containing the atom. * @param atom the atom of which to get the name. |