diff options
Diffstat (limited to 'include')
| -rw-r--r-- | include/tng_io.h | 35 |
1 files changed, 28 insertions, 7 deletions
diff --git a/include/tng_io.h b/include/tng_io.h index 2716ccf..0892fb8 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -877,6 +877,27 @@ tng_function_status DECLSPECDLLEXPORT tng_long_stride_length_set const int64_t len); /** + * @brief Get the current time per frame of the trajectory. + * @param tng_data is the trajectory from which to get the time per frame. + * @param len is pointing to a value set to the time per frame. + * @return TNG_SUCCESS (0) if successful. + */ +tng_function_status DECLSPECDLLEXPORT tng_time_per_frame_get + (const tng_trajectory_t tng_data, + double *time); + +/** + * @brief Set the time per frame of the trajectory. + * @param tng_data is the trajectory of which to set the time per frame. + * @param len is the new time per frame. + * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error + * has occurred. + */ +tng_function_status DECLSPECDLLEXPORT tng_time_per_frame_set + (tng_trajectory_t tng_data, + const double time); + +/** * @brief Get the length of the input file. * @param tng_data is the trajectory from which to get the input file length. * @param len is pointing to a value set to the file length. @@ -1557,7 +1578,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_new * set. * @param first_frame is the first frame of the frame set. * @param n_frames is the number of frames in the frame set. - * @param first_frame_time is the time stamp of the first frame (in fs). + * @param first_frame_time is the time stamp of the first frame (in seconds). * @return TNG_SUCCESS (0) if successful, TNG_FAILURE (1) if a minor error * has occurred or TNG_CRITICAL (2) if a major error has occured. */ @@ -1565,7 +1586,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_with_time_new (tng_trajectory_t tng_data, const int64_t first_frame, const int64_t n_frames, - const int64_t first_frame_time); + const double first_frame_time); /** * @brief Set the time stamp of the first frame of the current frame set. @@ -1576,7 +1597,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_with_time_new */ tng_function_status DECLSPECDLLEXPORT tng_frame_set_first_frame_time_set (tng_trajectory_t tng_data, - const int64_t first_frame_time); + const double first_frame_time); /** * @brief Add a non-particle dependent data block. @@ -2472,7 +2493,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write * is set. * @param tng_data is the trajectory to use. * @param frame_nr is the frame number of the data. - * @param time is the time stamp of the frame (in fs). + * @param time is the time stamp of the frame (in seconds). * @param positions is a 1D array of data to add. The array should be of length * n_particles * 3. * @details This function uses tng_util_generic_write() and will @@ -2497,7 +2518,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_with_time_write * is set. * @param tng_data is the trajectory to use. * @param frame_nr is the frame number of the data. - * @param time is the time stamp of the frame (in fs). + * @param time is the time stamp of the frame (in seconds). * @param velocities is a 1D array of data to add. The array should be of length * n_particles * 3. * @details This function uses tng_util_generic_write() and will @@ -2522,7 +2543,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_with_time_write * is set. * @param tng_data is the trajectory to use. * @param frame_nr is the frame number of the data. - * @param time is the time stamp of the frame (in fs). + * @param time is the time stamp of the frame (in seconds). * @param forces is a 1D array of data to add. The array should be of length * n_particles * 3. * @details This function uses tng_util_generic_write() and will @@ -2547,7 +2568,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_with_time_write * is set. * @param tng_data is the trajectory to use. * @param frame_nr is the frame number of the data. - * @param time is the time stamp of the frame (in fs). + * @param time is the time stamp of the frame (in seconds). * @param box_shape is a 1D array of data to add. The array should be of length 9. * @details This function uses tng_util_generic_write() and will * create a box shape data block if none exists. Box shapes are stored as 9 |