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 6ce98d0..50eb3dd 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -1145,6 +1145,19 @@ tng_function_status DECLSPECDLLEXPORT tng_num_particles_get int64_t *n); /** + * @brief Get the number of molecule types (length of tng_data->molecules). + * @param tng_data is the trajectory from which to get the number of molecules. + * @param n is pointing to a value set to the number of molecule types. + * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) + * must be initialised before using it. + * @pre \code n != 0 \endcode The pointer to n must not be a NULL pointer. + * @return TNG_SUCCESS (0) if successful. + */ +tng_function_status DECLSPECDLLEXPORT tng_num_molecules_types_get + (const tng_trajectory_t tng_data, + int64_t *n); + +/** * @brief Get the current total number of molecules. * @param tng_data is the trajectory from which to get the number of molecules. * @param n is pointing to a value set to the number of molecules. |