diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/lib/tng_io.h | 65 |
1 files changed, 62 insertions, 3 deletions
diff --git a/src/lib/tng_io.h b/src/lib/tng_io.h index 6403374..1bf5424 100644 --- a/src/lib/tng_io.h +++ b/src/lib/tng_io.h @@ -1,5 +1,51 @@ /** @file tng_io.h * @brief API for input and output of tng trajectory files + * @mainpage TNG: A flexible binary trajectory format + * @section intro_sec Introduction + * + * The TNG format is developed as part of the ScalaLife EU project. + * It is flexible by design to allow parallel writing, custom data blocks, + * different output frequencies and different compression algorithms. + * + * Each block can contain MD5 hashes to verify data integrity and the file + * can be signed by the user to ensure that the origin is correct. + * + * @section authors_sec Authors + * + * The TNG trajectory format is developed by: + * + * Magnus Lundborg magnus.lundborg@scilifelab.se + * + * Daniel Spångberg daniels@mkem.uu.se + * + * Rossen Apostolov rossen@kth.se + * + * The API is implemented mainly by: + * + * Magnus Lundborg + * + * @section License + * + * The TNG API is released under LGPL 2.1 and is free to redistribute according + * to that license (or a later version of the LGPL license). + * + * A license file (named COPYING) should be included with each copy of the API. + * + * @section install_sec Installation + * + * mkdir build + * + * cd build + * + * cmake .. + * + * make + * + * + * Test by running: + * + * bin/tng_testing + * */ #ifndef _TNGIO_H @@ -953,6 +999,7 @@ tng_function_status tng_particle_data_block_add(tng_trajectory_t tng_data, /** * @brief Read one trajectory block from the input_file of tng_data. + * @details Not implemented yet! * @param tng_data is a trajectory data container. tng_data->input_file_path * specifies which file to read from. If the file (input_file) is not open it * will be opened. @@ -965,6 +1012,7 @@ tng_function_status tng_traj_block_read(tng_trajectory_t tng_data, /** * @brief Write one trajectory block to the output_file of tng_data. + * @details Not implemented yet! * @param tng_data is a trajectory data container. tng_data->output_file_path * specifies which file to write to. If the file (output_file) is not open it * will be opened. @@ -977,6 +1025,7 @@ tng_function_status tng_traj_block_write(tng_trajectory_t tng_data, /** * @brief Read a requested frame set. + * @details Not implemented yet! * @param tng_data is a trajectory data container. * tng_data->current_trajectory_frame_set will be the read frame set. * @param frame_set_nr is the number of the frame set to return (starting from 0). @@ -989,6 +1038,7 @@ tng_function_status tng_frame_set_read_nr(tng_trajectory_t tng_data, /** * @brief Read a number of consecutive trajectory frames from the input_file of * tng_data. + * @details Not implemented yet! * @param tng_data is a trajectory data container. * tng_data->input_file_path specifies * which file to read from. If the file (input_file) is not open it will be @@ -1005,6 +1055,7 @@ tng_function_status tng_frame_read_interval(tng_trajectory_t tng_data, /** * @brief Write a number of consecutive trajectory frames to the output_file of * tng_data. + * @details Not implemented yet! * @param tng_data is a trajectory data container. tng_data->output_file_path specifies * which file to write to. If the file (output_file) is not open it will be * opened. @@ -1075,6 +1126,7 @@ tng_function_status tng_data_get(tng_trajectory_t tng_data, /** * @brief Read and retrieve non-particle data, in a specific interval. + * @details Not implemented yet! * @param tng_data is a trajectory data container. tng_data->input_file_path specifies * which file to read from. If the file (input_file) is not open it will be * opened. @@ -1102,9 +1154,12 @@ tng_function_status tng_data_interval_get(tng_trajectory_t tng_data, /** * @brief Retrieve particle data, from the last read frame set. - * @param tng_data is a trajectory data container. tng_data->input_file_path specifies - * which file to read from. If the file (input_file) is not open it will be - * opened. + * @details The particle dimension of the returned values array is translated + * to real particle numbering, i.e. the numbering of the actual molecular + * system. + * @param tng_data is a trajectory data container. tng_data->input_file_path + * specifies which file to read from. If the file (input_file) is not open it + * will be opened. * @param block_id is the id number of the particle data block to read. * @param values is a pointer to a 3-dimensional array (memory unallocated), which * will be filled with data. The array will be sized @@ -1131,6 +1186,10 @@ tng_function_status tng_particle_data_get(tng_trajectory_t tng_data, /** * @brief Read and retrieve particle data, in a specific interval. + * @details Not implemented yet! + * @details The particle dimension of the returned values array is translated + * to real particle numbering, i.e. the numbering of the actual molecular + * system. * @param tng_data is a trajectory data container. tng_data->input_file_path specifies * which file to read from. If the file (input_file) is not open it will be * opened. |