diff options
| -rw-r--r-- | include/tng_io.h | 65 | ||||
| -rw-r--r-- | src/lib/tng_io.c | 264 | ||||
| -rw-r--r-- | src/tests/tng_io_testing.c | 4 |
3 files changed, 166 insertions, 167 deletions
diff --git a/include/tng_io.h b/include/tng_io.h index 190f9d3..5c9557b 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -380,14 +380,12 @@ typedef unsigned long long int uint64_t; typedef enum {TNG_BIG_ENDIAN, TNG_LITTLE_ENDIAN} tng_file_endianness; -/** Flag to specify the endianness of 32 bit values of the current architecture. - * Output is always converted to big endian */ +/** Flag to specify the endianness of 32 bit values of the current architecture. */ typedef enum {TNG_BIG_ENDIAN_32, TNG_LITTLE_ENDIAN_32, TNG_BYTE_PAIR_SWAP_32} tng_endianness_32; -/** Flag to specify the endianness of 64 bit values of the current architecture. - * Output is always converted to big endian */ +/** Flag to specify the endianness of 64 bit values of the current architecture. */ typedef enum {TNG_BIG_ENDIAN_64, TNG_LITTLE_ENDIAN_64, TNG_QUAD_SWAP_64, @@ -418,6 +416,7 @@ typedef enum {TNG_TRAJ_BOX_SHAPE = 10000, TNG_TRAJ_PARTIAL_CHARGES, TNG_TRAJ_FORMAL_CHARGES, TNG_TRAJ_B_FACTORS, + TNG_TRAJ_ANISOTROPIC_B_FACTORS, TNG_TRAJ_OCCUPANCY} tng_trajectory_block_ids; /** Flag to specify if a data block contains data related to particles or not.*/ @@ -1489,7 +1488,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_mapping_add */ tng_function_status DECLSPECDLLEXPORT tng_file_headers_read (tng_trajectory_t tng_data, - const tng_hash_mode hash_mode); + const char hash_mode); /** * @brief Write the header blocks to the output_file of tng_data. @@ -1506,7 +1505,7 @@ tng_function_status DECLSPECDLLEXPORT tng_file_headers_read */ tng_function_status DECLSPECDLLEXPORT tng_file_headers_write (tng_trajectory_t tng_data, - const tng_hash_mode hash_mode); + const char hash_mode); /** * @brief Read one (the next) block (of any kind) from the input_file of tng_data. @@ -1527,7 +1526,7 @@ tng_function_status DECLSPECDLLEXPORT tng_file_headers_write tng_function_status DECLSPECDLLEXPORT tng_block_read_next (tng_trajectory_t tng_data, tng_gen_block_t block_data, - const tng_hash_mode hash_mode); + const char hash_mode); /** * @brief Read one (the next) frame set, including mapping and related data blocks @@ -1544,7 +1543,7 @@ tng_function_status DECLSPECDLLEXPORT tng_block_read_next */ tng_function_status DECLSPECDLLEXPORT tng_frame_set_read_next (tng_trajectory_t tng_data, - const tng_hash_mode hash_mode); + const char hash_mode); /** * @brief Write one frame set, including mapping and related data blocks @@ -1560,7 +1559,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_read_next */ tng_function_status DECLSPECDLLEXPORT tng_frame_set_write (tng_trajectory_t tng_data, - const tng_hash_mode hash_mode); + const char hash_mode); /** * @brief Create and initialise a frame set. @@ -1629,8 +1628,8 @@ tng_function_status DECLSPECDLLEXPORT tng_data_block_add (tng_trajectory_t tng_data, const int64_t id, const char *block_name, - const tng_data_type datatype, - const tng_block_type block_type_flag, + const char datatype, + const char block_type_flag, int64_t n_frames, const int64_t n_values_per_frame, int64_t stride_length, @@ -1665,8 +1664,8 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_block_add (tng_trajectory_t tng_data, const int64_t id, const char *block_name, - const tng_data_type datatype, - const tng_block_type block_type_flag, + const char datatype, + const char block_type_flag, int64_t n_frames, const int64_t n_values_per_frame, int64_t stride_length, @@ -1695,7 +1694,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_data_write const int64_t frame_nr, const int64_t block_id, const void *data, - const tng_hash_mode hash_mode); + const char hash_mode); /** * @brief Write particle data of one trajectory frame to the output_file of @@ -1723,7 +1722,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_particle_data_write const int64_t val_first_particle, const int64_t val_n_particles, const void *data, - const tng_hash_mode hash_mode); + const char hash_mode); /** * @brief Free data of an array of values (2D). @@ -1739,7 +1738,7 @@ tng_function_status DECLSPECDLLEXPORT tng_data_values_free union data_values **values, const int64_t n_frames, const int64_t n_values_per_frame, - const tng_data_type type); + const char type); /** * @brief Free data of an array of values (3D). @@ -1757,7 +1756,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_values_free const int64_t n_frames, const int64_t n_particles, const int64_t n_values_per_frame, - const tng_data_type type); + const char type); /** * @brief Retrieve non-particle data, from the last read frame set. Obsolete! @@ -1785,7 +1784,7 @@ tng_function_status DECLSPECDLLEXPORT tng_data_get(tng_trajectory_t tng_data, union data_values ***values, int64_t *n_frames, int64_t *n_values_per_frame, - tng_data_type *type); + char *type); /** * @brief Retrieve a vector (1D array) of non-particle data, from the last read frame set. @@ -1814,7 +1813,7 @@ tng_function_status DECLSPECDLLEXPORT tng_data_vector_get int64_t *n_frames, int64_t *stride_length, int64_t *n_values_per_frame, - tng_data_type *type); + char *type); /** * @brief Read and retrieve non-particle data, in a specific interval. Obsolete! @@ -1845,10 +1844,10 @@ tng_function_status DECLSPECDLLEXPORT tng_data_interval_get const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, - const tng_hash_mode hash_mode, + const char hash_mode, union data_values ***values, int64_t *n_values_per_frame, - tng_data_type *type); + char *type); /** * @brief Read and retrieve a vector (1D array) of non-particle data, @@ -1880,11 +1879,11 @@ tng_function_status DECLSPECDLLEXPORT tng_data_vector_interval_get const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, - const tng_hash_mode hash_mode, + const char hash_mode, void **values, int64_t *stride_length, int64_t *n_values_per_frame, - tng_data_type *type); + char *type); /** * @brief Retrieve particle data, from the last read frame set. Obsolete! @@ -1919,7 +1918,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_get int64_t *n_frames, int64_t *n_particles, int64_t *n_values_per_frame, - tng_data_type *type); + char *type); /** * @brief Retrieve a vector (1D array) of particle data, from the last read frame set. @@ -1955,7 +1954,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_vector_get int64_t *stride_length, int64_t *n_particles, int64_t *n_values_per_frame, - tng_data_type *type); + char *type); /** * @brief Read and retrieve particle data, in a specific interval. Obsolete! @@ -1991,11 +1990,11 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_interval_get const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, - const tng_hash_mode hash_mode, + const char hash_mode, union data_values ****values, int64_t *n_particles, int64_t *n_values_per_frame, - tng_data_type *type); + char *type); /** * @brief Read and retrieve a vector (1D array) particle data, in a * specific interval. @@ -2032,12 +2031,12 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_vector_interval_get const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, - const tng_hash_mode hash_mode, + const char hash_mode, void **values, int64_t *n_particles, int64_t *stride_length, int64_t *n_values_per_frame, - tng_data_type *type); + char *type); /** @brief Get the date and time of initial file creation in ISO format (string). * @param tng_data is a trajectory data container. @@ -2305,8 +2304,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_frequency_set const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, - const tng_particle_dependency particle_dependency, - const tng_compression compression); + const char particle_dependency, + const char compression); /** * @brief High-level function for setting the writing frequency of position @@ -2406,8 +2405,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, - const tng_particle_dependency particle_dependency, - const tng_compression compression); + const char particle_dependency, + const char compression); /** * @brief High-level function for adding data to positions data blocks. diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index bec062a..805e7eb 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -194,7 +194,7 @@ struct tng_particle_data { * data that is stored */ char *block_name; /** The type of data stored. */ - tng_data_type datatype; + char datatype; /** The frame number of the first data value */ int64_t first_frame_with_data; /** The number of frames in this frame set */ @@ -222,7 +222,7 @@ struct tng_non_particle_data { * data that is stored */ char *block_name; /** The type of data stored. */ - tng_data_type datatype; + char datatype; /** The first frame number of the first data value */ int64_t first_frame_with_data; /** The number of frames in this data block */ @@ -270,9 +270,9 @@ struct tng_trajectory { * input file */ tng_function_status (*output_endianness_swap_func_64)(const tng_trajectory_t, int64_t *); /** The endianness of 32 bit values of the current computer */ - tng_endianness_32 endianness_32; + char endianness_32; /** The endianness of 64 bit values of the current computer */ - tng_endianness_64 endianness_64; + char endianness_64; /** The name of the program producing this trajectory */ char *first_program_name; @@ -455,32 +455,32 @@ static tng_function_status tng_swap_byte_order_big_endian_64 switch(tng_data->endianness_64) { case TNG_LITTLE_ENDIAN_64: // Byte order is reversed. - *v = ((*v & 0xFF00000000000000) >> 56) | // Move first byte to end - ((*v & 0x00FF000000000000) >> 40) | // Move 2nd byte to pos 7 - ((*v & 0x0000FF0000000000) >> 24) | // Move 3rd byte to pos 6 - ((*v & 0x000000FF00000000) >> 8 ) | // Move 4th byte to pos 5 - ((*v & 0x00000000FF000000) << 8 ) | // Move 5th byte to pos 4 - ((*v & 0x0000000000FF0000) << 24) | // Move 6th byte to pos 3 - ((*v & 0x000000000000FF00) << 40) | // Move 7th byte to pos 2 - ((*v & 0x00000000000000FF) << 56); // Move last byte to first + *v = ((*v & 0xFF00000000000000LL) >> 56) | // Move first byte to end + ((*v & 0x00FF000000000000LL) >> 40) | // Move 2nd byte to pos 7 + ((*v & 0x0000FF0000000000LL) >> 24) | // Move 3rd byte to pos 6 + ((*v & 0x000000FF00000000LL) >> 8 ) | // Move 4th byte to pos 5 + ((*v & 0x00000000FF000000LL) << 8 ) | // Move 5th byte to pos 4 + ((*v & 0x0000000000FF0000LL) << 24) | // Move 6th byte to pos 3 + ((*v & 0x000000000000FF00LL) << 40) | // Move 7th byte to pos 2 + ((*v & 0x00000000000000FFLL) << 56); // Move last byte to first return(TNG_SUCCESS); case TNG_QUAD_SWAP_64: // Byte quad swap - *v = ((*v & 0xFFFFFFFF00000000) >> 32) | - ((*v & 0x00000000FFFFFFFF) << 32); + *v = ((*v & 0xFFFFFFFF00000000LL) >> 32) | + ((*v & 0x00000000FFFFFFFFLL) << 32); return(TNG_SUCCESS); case TNG_BYTE_PAIR_SWAP_64: // Byte pair swap - *v = ((*v & 0xFFFF0000FFFF0000) >> 16) | - ((*v & 0x0000FFFF0000FFFF) << 16); + *v = ((*v & 0xFFFF0000FFFF0000LL) >> 16) | + ((*v & 0x0000FFFF0000FFFFLL) << 16); return(TNG_SUCCESS); case TNG_BYTE_SWAP_64: // Byte swap - *v = ((*v & 0xFF00FF00FF00FF00) >> 8) | - ((*v & 0x00FF00FF00FF00FF) << 8); + *v = ((*v & 0xFF00FF00FF00FF00LL) >> 8) | + ((*v & 0x00FF00FF00FF00FFLL) << 8); return(TNG_SUCCESS); @@ -548,38 +548,38 @@ static tng_function_status tng_swap_byte_order_little_endian_64 return(TNG_SUCCESS); case TNG_QUAD_SWAP_64: // Byte quad swapped big endian to little endian - *v = ((*v & 0xFF000000FF000000) >> 24) | - ((*v & 0x00FF000000FF0000) >> 8) | - ((*v & 0x0000FF000000FF00) << 8) | - ((*v & 0x000000FF000000FF) << 24); + *v = ((*v & 0xFF000000FF000000LL) >> 24) | + ((*v & 0x00FF000000FF0000LL) >> 8) | + ((*v & 0x0000FF000000FF00LL) << 8) | + ((*v & 0x000000FF000000FFLL) << 24); return(TNG_SUCCESS); case TNG_BYTE_PAIR_SWAP_64: // Byte pair swapped big endian to little endian - *v = ((*v & 0xFF00FF0000000000) >> 40) | - ((*v & 0x00FF00FF00000000) >> 24) | - ((*v & 0x00000000FF00FF00) << 24) | - ((*v & 0x0000000000FF00FF) << 40); + *v = ((*v & 0xFF00FF0000000000LL) >> 40) | + ((*v & 0x00FF00FF00000000LL) >> 24) | + ((*v & 0x00000000FF00FF00LL) << 24) | + ((*v & 0x0000000000FF00FFLL) << 40); return(TNG_SUCCESS); case TNG_BYTE_SWAP_64: // Byte swapped big endian to little endian - *v = ((*v & 0xFFFF000000000000) >> 48) | - ((*v & 0x0000FFFF00000000) >> 16) | - ((*v & 0x00000000FFFF0000) << 16) | - ((*v & 0x000000000000FFFF) << 48); + *v = ((*v & 0xFFFF000000000000LL) >> 48) | + ((*v & 0x0000FFFF00000000LL) >> 16) | + ((*v & 0x00000000FFFF0000LL) << 16) | + ((*v & 0x000000000000FFFFLL) << 48); return(TNG_SUCCESS); case TNG_BIG_ENDIAN_64: // Byte order is reversed. - *v = ((*v & 0xFF00000000000000) >> 56) | // Move first byte to end - ((*v & 0x00FF000000000000) >> 40) | // Move 2nd byte to pos 7 - ((*v & 0x0000FF0000000000) >> 24) | // Move 3rd byte to pos 6 - ((*v & 0x000000FF00000000) >> 8 ) | // Move 4th byte to pos 5 - ((*v & 0x00000000FF000000) << 8 ) | // Move 5th byte to pos 4 - ((*v & 0x0000000000FF0000) << 24) | // Move 6th byte to pos 3 - ((*v & 0x000000000000FF00) << 40) | // Move 7th byte to pos 2 - ((*v & 0x00000000000000FF) << 56); // Move last byte to first + *v = ((*v & 0xFF00000000000000LL) >> 56) | // Move first byte to end + ((*v & 0x00FF000000000000LL) >> 40) | // Move 2nd byte to pos 7 + ((*v & 0x0000FF0000000000LL) >> 24) | // Move 3rd byte to pos 6 + ((*v & 0x000000FF00000000LL) >> 8 ) | // Move 4th byte to pos 5 + ((*v & 0x00000000FF000000LL) << 8 ) | // Move 5th byte to pos 4 + ((*v & 0x0000000000FF0000LL) << 24) | // Move 6th byte to pos 3 + ((*v & 0x000000000000FF00LL) << 40) | // Move 7th byte to pos 2 + ((*v & 0x00000000000000FFLL) << 56); // Move last byte to first return(TNG_SUCCESS); @@ -1033,7 +1033,7 @@ static tng_function_status tng_block_verbatim_write(tng_trajectory_t tng_data, static tng_function_status tng_block_header_write (tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_hash_mode hash_mode) + const char hash_mode) { int name_len, offset = 0; @@ -1169,7 +1169,7 @@ static tng_function_status tng_block_header_write */ static tng_function_status tng_general_info_block_read (tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_hash_mode hash_mode) + const char hash_mode) { int len, offset = 0; tng_bool same_hash; @@ -1454,7 +1454,7 @@ static tng_function_status tng_general_info_block_read */ static tng_function_status tng_general_info_block_write (tng_trajectory_t tng_data, - const tng_hash_mode hash_mode) + const char hash_mode) { int first_program_name_len, first_user_name_len; int first_computer_name_len, first_pgp_signature_len; @@ -2089,7 +2089,7 @@ static tng_function_status tng_atom_data_write(tng_trajectory_t tng_data, static tng_function_status tng_molecules_block_read (tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_hash_mode hash_mode) + const char hash_mode) { int i, j, k, l, len, offset = 0; tng_molecule_t molecule; @@ -2492,7 +2492,7 @@ static tng_function_status tng_molecules_block_read */ static tng_function_status tng_molecules_block_write (tng_trajectory_t tng_data, - const tng_hash_mode hash_mode) + const char hash_mode) { int len = 0, name_len; int i, j, k, l, offset = 0; @@ -2899,7 +2899,7 @@ static tng_function_status tng_molecules_block_write static tng_function_status tng_frame_set_block_read (tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_hash_mode hash_mode) + const char hash_mode) { int i, file_pos, offset = 0; int64_t prev_n_particles; @@ -3196,7 +3196,7 @@ static tng_function_status tng_frame_set_block_read static tng_function_status tng_frame_set_block_write (tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_hash_mode hash_mode) + const char hash_mode) { char *temp_name; int64_t i; @@ -3445,7 +3445,7 @@ static tng_function_status tng_frame_set_block_write static tng_function_status tng_trajectory_mapping_block_read (tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_hash_mode hash_mode) + const char hash_mode) { int64_t i; int offset = 0; @@ -3592,7 +3592,7 @@ static tng_function_status tng_trajectory_mapping_block_write (tng_trajectory_t tng_data, tng_gen_block_t block, int mapping_block_nr, - const tng_hash_mode hash_mode) + const char hash_mode) { char *temp_name; int i, offset = 0, name_len; @@ -3720,7 +3720,7 @@ static tng_function_status tng_trajectory_mapping_block_write */ static tng_function_status tng_particle_data_block_create (tng_trajectory_t tng_data, - const tng_block_type block_type_flag) + const char block_type_flag) { tng_trajectory_frame_set_t frame_set = &tng_data->current_trajectory_frame_set; @@ -3773,7 +3773,7 @@ static tng_function_status tng_compress(tng_trajectory_t tng_data, tng_gen_block_t block, const int64_t n_frames, const int64_t n_particles, - const tng_data_type type, + const char type, void *start_pos, const int len) { @@ -3929,7 +3929,7 @@ static tng_function_status tng_compress(tng_trajectory_t tng_data, static tng_function_status tng_uncompress(tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_data_type type, + const char type, void *start_pos, const unsigned long uncompressed_len) { @@ -4253,7 +4253,7 @@ static tng_function_status tng_particle_data_find int64_t block_index, i; tng_trajectory_frame_set_t frame_set = &tng_data-> current_trajectory_frame_set; - tng_block_type block_type_flag; + char block_type_flag; if(tng_data->current_trajectory_frame_set_input_file_pos > 0 || tng_data->current_trajectory_frame_set_output_file_pos > 0) @@ -4305,7 +4305,7 @@ static tng_function_status tng_data_find int64_t block_index, i; tng_trajectory_frame_set_t frame_set = &tng_data-> current_trajectory_frame_set; - tng_block_type block_type_flag; + char block_type_flag; if(tng_data->current_trajectory_frame_set_input_file_pos > 0 || tng_data->current_trajectory_frame_set_output_file_pos > 0) @@ -4409,7 +4409,7 @@ static tng_function_status tng_particle_data_read tng_particle_data_t data; tng_trajectory_frame_set_t frame_set = &tng_data->current_trajectory_frame_set; - tng_block_type block_type_flag; + char block_type_flag; switch(datatype) { @@ -4633,7 +4633,7 @@ static tng_function_status tng_particle_data_block_write tng_gen_block_t block, const int block_index, const tng_particle_mapping_t mapping, - const tng_hash_mode hash_mode) + const char hash_mode) { int64_t n_particles, num_first_particle, n_frames, stride_length; int64_t frame_step; @@ -4645,7 +4645,7 @@ static tng_function_status tng_particle_data_block_write &tng_data->current_trajectory_frame_set; tng_particle_data_t data; - tng_block_type block_type_flag; + char block_type_flag; /* If we have already started writing frame sets it is too late to write * non-trajectory data blocks */ @@ -5135,7 +5135,7 @@ static tng_function_status tng_particle_data_block_write */ static tng_function_status tng_data_block_create (tng_trajectory_t tng_data, - const tng_block_type block_type_flag) + const char block_type_flag) { tng_trajectory_frame_set_t frame_set = &tng_data->current_trajectory_frame_set; @@ -5311,7 +5311,7 @@ static tng_function_status tng_data_read(tng_trajectory_t tng_data, tng_non_particle_data_t data; tng_trajectory_frame_set_t frame_set = &tng_data->current_trajectory_frame_set; - tng_block_type block_type_flag; + char block_type_flag; // printf("%s\n", block->name); @@ -5501,7 +5501,7 @@ static tng_function_status tng_data_read(tng_trajectory_t tng_data, static tng_function_status tng_data_block_write(tng_trajectory_t tng_data, tng_gen_block_t block, const int block_index, - const tng_hash_mode hash_mode) + const char hash_mode) { int64_t n_frames, stride_length, frame_step; int i, j, offset = 0, size, len, data_start_pos; @@ -5511,7 +5511,7 @@ static tng_function_status tng_data_block_write(tng_trajectory_t tng_data, &tng_data->current_trajectory_frame_set; tng_non_particle_data_t data; - tng_block_type block_type_flag; + char block_type_flag; /* If we have already started writing frame sets it is too late to write * non-trajectory data blocks */ @@ -5927,7 +5927,7 @@ static tng_function_status tng_data_block_write(tng_trajectory_t tng_data, static tng_function_status tng_data_block_contents_read (tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_hash_mode hash_mode) + const char hash_mode) { int64_t n_values, codec_id, n_frames, first_frame_with_data; int64_t stride_length, block_n_particles, num_first_particle; @@ -6187,7 +6187,7 @@ static tng_function_status tng_md5_hash_update(tng_trajectory_t tng_data, * error has occured. */ static tng_function_status tng_header_pointers_update - (tng_trajectory_t tng_data, const tng_hash_mode hash_mode) + (tng_trajectory_t tng_data, const char hash_mode) { tng_gen_block_t block; FILE *temp = tng_data->input_file; @@ -6283,7 +6283,7 @@ static tng_function_status tng_header_pointers_update * error has occured. */ static tng_function_status tng_frame_set_pointers_update - (tng_trajectory_t tng_data, const tng_hash_mode hash_mode) + (tng_trajectory_t tng_data, const char hash_mode) { tng_gen_block_t block; tng_trajectory_frame_set_t frame_set; @@ -6553,7 +6553,7 @@ static tng_function_status tng_frame_set_pointers_update * error has occured. */ static tng_function_status tng_frame_set_finalize - (tng_trajectory_t tng_data, const tng_hash_mode hash_mode) + (tng_trajectory_t tng_data, const char hash_mode) { tng_gen_block_t block; tng_trajectory_frame_set_t frame_set; @@ -7835,7 +7835,7 @@ tng_function_status DECLSPECDLLEXPORT tng_trajectory_init(tng_trajectory_t *tng_ } } { - static int64_t endianness_64 = 0x0123456789ABCDEF; + static int64_t endianness_64 = 0x0123456789ABCDEFLL; /* 0x0123456789ABCDEF */ if ( *(const uint8_t*)&endianness_64 == 0x01 ) { @@ -10107,7 +10107,7 @@ static TNG_INLINE tng_function_status tng_particle_mapping_get_local_particle tng_function_status DECLSPECDLLEXPORT tng_file_headers_read(tng_trajectory_t tng_data, - const tng_hash_mode hash_mode) + const char hash_mode) { int cnt = 0, prev_pos = 0; tng_gen_block_t block; @@ -10154,7 +10154,7 @@ tng_function_status DECLSPECDLLEXPORT tng_file_headers_read(tng_trajectory_t tng } tng_function_status DECLSPECDLLEXPORT tng_file_headers_write(tng_trajectory_t tng_data, - const tng_hash_mode hash_mode) + const char hash_mode) { int i; tng_gen_block_t data_block; @@ -10205,7 +10205,7 @@ tng_function_status DECLSPECDLLEXPORT tng_file_headers_write(tng_trajectory_t tn tng_function_status DECLSPECDLLEXPORT tng_block_read_next(tng_trajectory_t tng_data, tng_gen_block_t block, - const tng_hash_mode hash_mode) + const char hash_mode) { switch(block->id) { @@ -10233,7 +10233,7 @@ tng_function_status DECLSPECDLLEXPORT tng_block_read_next(tng_trajectory_t tng_d tng_function_status DECLSPECDLLEXPORT tng_frame_set_read_next(tng_trajectory_t tng_data, - const tng_hash_mode hash_mode) + const char hash_mode) { long int file_pos; tng_gen_block_t block; @@ -10325,7 +10325,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_read_next(tng_trajectory_t t } tng_function_status tng_frame_set_write(tng_trajectory_t tng_data, - const tng_hash_mode hash_mode) + const char hash_mode) { int i, j; tng_gen_block_t block; @@ -10639,8 +10639,8 @@ tng_function_status DECLSPECDLLEXPORT tng_data_block_add (tng_trajectory_t tng_data, const int64_t id, const char *block_name, - const tng_data_type datatype, - const tng_block_type block_type_flag, + const char datatype, + const char block_type_flag, int64_t n_frames, const int64_t n_values_per_frame, int64_t stride_length, @@ -10772,8 +10772,8 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_block_add (tng_trajectory_t tng_data, const int64_t id, const char *block_name, - const tng_data_type datatype, - const tng_block_type block_type_flag, + const char datatype, + const char block_type_flag, int64_t n_frames, const int64_t n_values_per_frame, int64_t stride_length, @@ -10927,7 +10927,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_data_write const int64_t frame_nr, const int64_t block_id, const void *values, - const tng_hash_mode hash_mode) + const char hash_mode) { int64_t header_pos, file_pos; int64_t output_file_len, n_values_per_frame, size, contents_size; @@ -11340,7 +11340,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_particle_data_write const int64_t val_first_particle, const int64_t val_n_particles, const void *values, - const tng_hash_mode hash_mode) + const char hash_mode) { int64_t header_pos, file_pos, tot_n_particles; int64_t output_file_len, n_values_per_frame, size, contents_size; @@ -11580,7 +11580,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_particle_data_write tng_block_destroy(&block); return(TNG_CRITICAL); } - + data.datatype = datatype; if(fread(&dependency, sizeof(dependency), 1, tng_data->input_file) == 0) @@ -11869,7 +11869,7 @@ static tng_function_status tng_data_values_alloc union data_values ***values, const int64_t n_frames, const int64_t n_values_per_frame, - const tng_data_type type) + const char type) { int64_t i; tng_function_status stat; @@ -11918,7 +11918,7 @@ tng_function_status DECLSPECDLLEXPORT tng_data_values_free union data_values **values, const int64_t n_frames, const int64_t n_values_per_frame, - const tng_data_type type) + const char type) { int i, j; @@ -11956,7 +11956,7 @@ static tng_function_status tng_particle_data_values_alloc const int64_t n_frames, const int64_t n_particles, const int64_t n_values_per_frame, - const tng_data_type type) + const char type) { int64_t i, j; tng_function_status stat; @@ -12022,7 +12022,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_values_free const int64_t n_frames, const int64_t n_particles, const int64_t n_values_per_frame, - const tng_data_type type) + const char type) { int i, j, k; @@ -12066,7 +12066,7 @@ tng_function_status DECLSPECDLLEXPORT tng_data_get union data_values ***values, int64_t *n_frames, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { int64_t file_pos; int i, j, block_index, len, size; @@ -12196,7 +12196,7 @@ tng_function_status tng_data_vector_get(tng_trajectory_t tng_data, int64_t *n_frames, int64_t *stride_length, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { int64_t file_pos, data_size; int i, block_index, size; @@ -12300,10 +12300,10 @@ tng_function_status DECLSPECDLLEXPORT tng_data_interval_get const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, - const tng_hash_mode hash_mode, + const char hash_mode, union data_values ***values, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { int64_t i, j, n_frames, file_pos, current_frame_pos; int block_index, len, size; @@ -12486,11 +12486,11 @@ tng_function_status DECLSPECDLLEXPORT tng_data_vector_interval_get const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, - const tng_hash_mode hash_mode, + const char hash_mode, void **values, int64_t *stride_length, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { int64_t n_frames, tot_n_frames; int64_t current_frame_pos, data_size, frame_size; @@ -12620,7 +12620,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_get int64_t *n_frames, int64_t *n_particles, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { int64_t i, j, k, mapping, file_pos, i_step; int block_index, len, size; @@ -12630,7 +12630,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_get tng_gen_block_t block; tng_function_status stat; - tng_block_type block_type_flag; + char block_type_flag; block_index = -1; data = 0; @@ -12814,7 +12814,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_vector_get int64_t *stride_length, int64_t *n_particles, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { int64_t i, j, mapping, file_pos, i_step, data_size; int block_index, size; @@ -12825,7 +12825,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_vector_get tng_function_status stat; void *temp; - tng_block_type block_type_flag; + char block_type_flag; block_index = -1; data = 0; @@ -12958,11 +12958,11 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_interval_get const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, - const tng_hash_mode hash_mode, + const char hash_mode, union data_values ****values, int64_t *n_particles, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { int64_t i, j, k, mapping, n_frames, file_pos, current_frame_pos, i_step; int block_index, len, size; @@ -12970,7 +12970,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_interval_get tng_trajectory_frame_set_t frame_set; tng_gen_block_t block; tng_function_status stat; - tng_block_type block_type_flag; + char block_type_flag; block_index = -1; @@ -13183,12 +13183,12 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_vector_interval_get const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, - const tng_hash_mode hash_mode, + const char hash_mode, void **values, int64_t *n_particles, int64_t *stride_length, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { int64_t n_frames, tot_n_frames; int64_t current_frame_pos, last_frame_pos, data_size, frame_size; @@ -13305,7 +13305,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_vector_interval_get *stride_length, end_frame_nr - frame_set->first_frame); - memcpy(*values + (current_frame_pos - start_frame_nr) *frame_size / + memcpy(*values + (current_frame_pos - start_frame_nr) * frame_size / *stride_length, current_values, frame_size * (last_frame_pos / *stride_length + 1)); @@ -13516,7 +13516,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_read float **positions, int64_t *stride_length) { int64_t n_frames, n_particles, n_values_per_frame; - tng_data_type type; + char type; tng_function_status stat; stat = tng_num_frames_get(tng_data, &n_frames); @@ -13541,7 +13541,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_read float **velocities, int64_t *stride_length) { int64_t n_frames, n_particles, n_values_per_frame; - tng_data_type type; + char type; tng_function_status stat; stat = tng_num_frames_get(tng_data, &n_frames); @@ -13566,7 +13566,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_read float **forces, int64_t *stride_length) { int64_t n_frames, n_particles, n_values_per_frame; - tng_data_type type; + char type; tng_function_status stat; stat = tng_num_frames_get(tng_data, &n_frames); @@ -13592,7 +13592,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_read int64_t *stride_length) { int64_t n_frames, n_values_per_frame; - tng_data_type type; + char type; tng_function_status stat; stat = tng_num_frames_get(tng_data, &n_frames); @@ -13619,7 +13619,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_read_range int64_t *stride_length) { int64_t n_particles, n_values_per_frame; - tng_data_type type; + char type; tng_function_status stat; stat = tng_particle_data_vector_interval_get(tng_data, TNG_TRAJ_POSITIONS, @@ -13642,7 +13642,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_read_range int64_t *stride_length) { int64_t n_particles, n_values_per_frame; - tng_data_type type; + char type; tng_function_status stat; stat = tng_particle_data_vector_interval_get(tng_data, TNG_TRAJ_VELOCITIES, @@ -13665,7 +13665,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_read_range int64_t *stride_length) { int64_t n_particles, n_values_per_frame; - tng_data_type type; + char type; tng_function_status stat; stat = tng_particle_data_vector_interval_get(tng_data, TNG_TRAJ_FORCES, @@ -13688,7 +13688,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_read_range int64_t *stride_length) { int64_t n_values_per_frame; - tng_data_type type; + char type; tng_function_status stat; stat = tng_data_vector_interval_get(tng_data, TNG_TRAJ_BOX_SHAPE, @@ -13708,8 +13708,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_frequency_set const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, - const tng_particle_dependency particle_dependency, - const tng_compression compression) + const char particle_dependency, + const char compression) { tng_trajectory_frame_set_t frame_set = &tng_data-> current_trajectory_frame_set; @@ -13843,8 +13843,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, - const tng_particle_dependency particle_dependency, - const tng_compression compression) + const char particle_dependency, + const char compression) { tng_trajectory_frame_set_t frame_set = &tng_data-> current_trajectory_frame_set; @@ -13852,7 +13852,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write tng_non_particle_data_t np_data; int64_t n_particles, n_frames = 10000, stride_length = 1000, frame_pos; tng_function_status stat; - tng_block_type block_type_flag; + char block_type_flag; if(frame_nr < 0) { @@ -14783,14 +14783,14 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_mapping_add_ } tng_function_status DECLSPECDLLEXPORT tng_file_headers_read_(tng_trajectory_t tng_data, - const tng_hash_mode *hash_mode) + const char *hash_mode) { return(tng_file_headers_read(tng_data, *hash_mode)); } tng_function_status DECLSPECDLLEXPORT tng_file_headers_write_ (tng_trajectory_t tng_data, - const tng_hash_mode *hash_mode) + const char *hash_mode) { return(tng_file_headers_write(tng_data, *hash_mode)); } @@ -14798,20 +14798,20 @@ tng_function_status DECLSPECDLLEXPORT tng_file_headers_write_ tng_function_status DECLSPECDLLEXPORT tng_block_read_next_ (tng_trajectory_t tng_data, tng_gen_block_t block_data, - const tng_hash_mode *hash_mode) + const char *hash_mode) { return(tng_block_read_next(tng_data, block_data, *hash_mode)); } tng_function_status DECLSPECDLLEXPORT tng_frame_set_read_next_ (tng_trajectory_t tng_data, - const tng_hash_mode *hash_mode) + const char *hash_mode) { return(tng_frame_set_read_next(tng_data, *hash_mode)); } tng_function_status DECLSPECDLLEXPORT tng_frame_set_write_(tng_trajectory_t tng_data, - const tng_hash_mode *hash_mode) + const char *hash_mode) { return(tng_frame_set_write(tng_data, *hash_mode)); } @@ -14844,8 +14844,8 @@ tng_function_status DECLSPECDLLEXPORT tng_data_block_add_ (tng_trajectory_t tng_data, const int64_t *id, const char *block_name, - const tng_data_type *datatype, - const tng_block_type *block_type_flag, + const char *datatype, + const char *block_type_flag, int64_t *n_frames, const int64_t *n_values_per_frame, const int64_t *stride_length, @@ -14869,8 +14869,8 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_block_add_ (tng_trajectory_t tng_data, const int64_t *id, const char *block_name, - const tng_data_type *datatype, - const tng_block_type *block_type_flag, + const char *datatype, + const char *block_type_flag, int64_t *n_frames, const int64_t *n_values_per_frame, const int64_t *stride_length, @@ -14899,7 +14899,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_data_write_ const int64_t *frame_nr, const int64_t *block_id, const void *data, - const tng_hash_mode *hash_mode) + const char *hash_mode) { return(tng_frame_data_write(tng_data, *frame_nr, *block_id, data, *hash_mode)); @@ -14912,7 +14912,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_particle_data_write_ const int64_t *val_first_particle, const int64_t *val_n_particles, const void *data, - const tng_hash_mode *hash_mode) + const char *hash_mode) { return(tng_frame_particle_data_write(tng_data, *frame_nr, *block_id, *val_first_particle, *val_n_particles, @@ -14924,7 +14924,7 @@ tng_function_status DECLSPECDLLEXPORT tng_data_values_free_ union data_values **values, const int64_t *n_frames, const int64_t *n_values_per_frame, - const tng_data_type *type) + const char *type) { return(tng_data_values_free(tng_data, values, *n_frames, *n_values_per_frame, *type)); @@ -14936,7 +14936,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_values_free_ const int64_t *n_frames, const int64_t *n_particles, const int64_t *n_values_per_frame, - const tng_data_type *type) + const char *type) { return(tng_particle_data_values_free(tng_data, values, *n_frames, *n_particles, *n_values_per_frame, *type)); @@ -14948,7 +14948,7 @@ tng_function_status DECLSPECDLLEXPORT tng_data_get_ union data_values ***values, int64_t *n_frames, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { return(tng_data_get(tng_data, *block_id, values, n_frames, n_values_per_frame, type)); @@ -14959,10 +14959,10 @@ tng_function_status DECLSPECDLLEXPORT tng_data_interval_get_ const int64_t *block_id, const int64_t *start_frame_nr, const int64_t *end_frame_nr, - const tng_hash_mode *hash_mode, + const char *hash_mode, union data_values ***values, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { return(tng_data_interval_get(tng_data, *block_id, *start_frame_nr, *end_frame_nr, *hash_mode, values, @@ -14976,7 +14976,7 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_get_ int64_t *n_frames, int64_t *n_particles, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { return(tng_particle_data_get(tng_data, *block_id, values, n_frames, n_particles, n_values_per_frame, type)); @@ -14987,11 +14987,11 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_interval_get_ const int64_t *block_id, const int64_t *start_frame_nr, const int64_t *end_frame_nr, - const tng_hash_mode *hash_mode, + const char *hash_mode, union data_values ****values, int64_t *n_particles, int64_t *n_values_per_frame, - tng_data_type *type) + char *type) { return(tng_particle_data_interval_get(tng_data, *block_id, *start_frame_nr, *end_frame_nr, *hash_mode, values, @@ -15101,8 +15101,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_frequency_set_ const int64_t *n_values_per_frame, const int64_t *block_id, const char *block_name, - const tng_particle_dependency *particle_dependency, - const tng_compression *compression) + const char *particle_dependency, + const char *compression) { return(tng_util_generic_write_frequency_set(tng_data, *f, *n_values_per_frame, *block_id, @@ -15146,8 +15146,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_ const int64_t *n_values_per_frame, const int64_t *block_id, const char *block_name, - const tng_particle_dependency *particle_dependency, - const tng_compression *compression) + const char *particle_dependency, + const char *compression) { return(tng_util_generic_write(tng_data, *frame_nr, values, *n_values_per_frame, *block_id, block_name, diff --git a/src/tests/tng_io_testing.c b/src/tests/tng_io_testing.c index daabcc4..96b53f7 100644 --- a/src/tests/tng_io_testing.c +++ b/src/tests/tng_io_testing.c @@ -499,7 +499,7 @@ tng_function_status tng_test_get_box_data(tng_trajectory_t traj) { int64_t n_frames, n_values_per_frame; union data_values **values = 0; - tng_data_type type; + char type; if(tng_data_get(traj, TNG_TRAJ_BOX_SHAPE, &values, &n_frames, &n_values_per_frame, &type) != TNG_SUCCESS) @@ -532,7 +532,7 @@ tng_function_status tng_test_get_positions_data(tng_trajectory_t traj) { int64_t n_frames, n_particles, n_values_per_frame; union data_values ***values = 0; - tng_data_type type; + char type; if(tng_particle_data_get(traj, TNG_TRAJ_POSITIONS, &values, &n_frames, &n_particles, &n_values_per_frame, &type) != |