diff options
Diffstat (limited to 'include')
| -rw-r--r-- | include/tng_io.h | 13 |
1 files changed, 13 insertions, 0 deletions
diff --git a/include/tng_io.h b/include/tng_io.h index 4df522b..7028bdc 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -1418,6 +1418,19 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_w_id_add tng_molecule_t *molecule); /** + * @brief Add an existing molecule (from a molecule container) to the trajectory. + * @param tng_data is the trajectory data container containing the block.. + * @param molecule is the molecule to add to the trajectory. + * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) + * must be initialised before using it. + * @return TNG_SUCCESS (0) if successful or TNG_CRITICAL (2) if a major error + * has occured. + */ +tng_function_status DECLSPECDLLEXPORT tng_molecule_existing_add + (tng_trajectory_t tng_data, + tng_molecule_t molecule); + +/** * @brief Set the name of a molecule. * @param tng_data is the trajectory data container containing the molecule.. * @param molecule is the molecule to rename. |