diff options
Diffstat (limited to 'include')
| -rw-r--r-- | include/tng/tng_io.h | 43 |
1 files changed, 22 insertions, 21 deletions
diff --git a/include/tng/tng_io.h b/include/tng/tng_io.h index 42119a5..aaf66cd 100644 --- a/include/tng/tng_io.h +++ b/include/tng/tng_io.h @@ -290,6 +290,8 @@ #ifndef TNG_IO_H #define TNG_IO_H 1 +#define _FILE_OFFSET_BITS 64 + #include <stdio.h> #include <stdlib.h> #include <string.h> @@ -336,7 +338,6 @@ typedef unsigned __int64 uint64_t; #endif /* USE_STD_INTTYPES_H */ - #ifndef USE_WINDOWS #if defined(WIN32) || defined(_WIN32) || defined(WIN64) || defined(_WIN64) #define USE_WINDOWS @@ -4071,7 +4072,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write_frequency_set /** * @brief High-level function for writing data of one frame to a data block. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param values is a 1D array of data to add. The array should be of length * n_particles * n_values_per_frame if writing particle related data, otherwise * it should be n_values_per_frame. @@ -4090,7 +4092,6 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write_frequency_set * Only required if the block did not exist, i.e. a new block is created. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code values != 0 \endcode The pointer to the values array must not * be a NULL pointer. * @details n_values_per_frame, block_name, particle_dependency and @@ -4117,7 +4118,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write * @brief High-level function for writing data of one frame to a double precision * data block. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param values is a 1D array of data to add. The array should be of length * n_particles * n_values_per_frame if writing particle related data, otherwise * it should be n_values_per_frame. @@ -4136,7 +4138,6 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write * Only required if the block did not exist, i.e. a new block is created. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code values != 0 \endcode The pointer to the values array must not * be a NULL pointer. * @details n_values_per_frame, block_name, particle_dependency and @@ -4162,12 +4163,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_double_write /** * @brief High-level function for adding data to positions data blocks. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param positions is a 1D array of data to add. The array should be of length * n_particles * 3. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code positions != 0 \endcode The pointer to the positions array must not * be a NULL pointer. * @details This function uses tng_util_generic_write() and will @@ -4189,12 +4190,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_write * @brief High-level function for adding data to positions data blocks at double * precision. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param positions is a 1D array of data to add. The array should be of length * n_particles * 3. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code positions != 0 \endcode The pointer to the positions array must not * be a NULL pointer. * @details This function uses tng_util_generic_write() and will @@ -4215,12 +4216,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_double_write /** * @brief High-level function for adding data to velocities data blocks. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param velocities is a 1D array of data to add. The array should be of length * n_particles * 3. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code velocities != 0 \endcode The pointer to the velocities array must not * be a NULL pointer. * @details This function uses tng_util_generic_write() and will @@ -4242,12 +4243,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_write * @brief High-level function for adding data to velocities data blocks at double * precision. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param velocities is a 1D array of data to add. The array should be of length * n_particles * 3. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code velocities != 0 \endcode The pointer to the velocities array must not * be a NULL pointer. * @details This function uses tng_util_generic_write() and will @@ -4268,12 +4269,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_double_write /** * @brief High-level function for adding data to forces data blocks. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param forces is a 1D array of data to add. The array should be of length * n_particles * 3. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code forces != 0 \endcode The pointer to the forces array must not * be a NULL pointer. * @details This function uses tng_util_generic_write() and will @@ -4295,12 +4296,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_write * @brief High-level function for adding data to forces data blocks at double * precision. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param forces is a 1D array of data to add. The array should be of length * n_particles * 3. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code forces != 0 \endcode The pointer to the forces array must not * be a NULL pointer. * @details This function uses tng_util_generic_write() and will @@ -4321,11 +4322,11 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_double_write /** * @brief High-level function for adding data to box shape data blocks. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param box_shape is a 1D array of data to add. The array should be of length 9. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code box_shape != 0 \endcode The pointer to the box_shape array must not * be a NULL pointer. * @details This function uses tng_util_generic_write() and will @@ -4347,11 +4348,11 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write * @brief High-level function for adding data to box shape data blocks at double * precision. * @param tng_data is the trajectory to use. - * @param frame_nr is the frame number of the data. + * @param frame_nr is the frame number of the data. If frame_nr < 0 the + * data is written as non-trajectory data. * @param box_shape is a 1D array of data to add. The array should be of length 9. * @pre \code tng_data != 0 \endcode The trajectory container (tng_data) * must be initialised before using it. - * @pre \code frame_nr >= 0 \endcode The frame number to write must be >= 0. * @pre \code box_shape != 0 \endcode The pointer to the box_shape array must not * be a NULL pointer. * @details This function uses tng_util_generic_write() and will |