diff options
Diffstat (limited to 'src/lib/tng_io.c')
| -rw-r--r-- | src/lib/tng_io.c | 151 |
1 files changed, 146 insertions, 5 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index e82f1bb..e626e66 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -3581,7 +3581,7 @@ static tng_function_status tng_create_data_block /* UNTESTED */ tng_function_status tng_allocate_data_mem - (struct tng_trajectory *tng_data, + (tng_trajectory_t tng_data, struct tng_data *data, int64_t n_frames, const int64_t n_values_per_frame) @@ -3608,8 +3608,8 @@ tng_function_status tng_allocate_data_mem n_frames = max(1, n_frames); data->n_values_per_frame = n_values_per_frame; values = (union data_values **) realloc(data->values, - sizeof(union data_values *) * - n_frames); + sizeof(union data_values *) * + n_frames); if(!values) { printf("Cannot allocate memory (%"PRId64" bytes). %s: %d\n", @@ -6892,7 +6892,70 @@ tng_function_status tng_data_get(tng_trajectory_t tng_data, int64_t block_id, union data_values ***values) { - /* STUB */ + int i, block_index, size; + struct tng_data *data, *new_data; + struct tng_trajectory_frame_set *frame_set = + &tng_data->current_trajectory_frame_set; + + block_index = -1; + /* See if there is already a data block of this ID. + * Start checking the last read frame set */ + for(i = frame_set->n_data_blocks; i-- ;) + { + data = &frame_set->tr_data[i]; + if(data->block_id == block_id) + { + block_index = i; + break; + } + } + + if(block_index <= 0) + { + /* If the data block was not found in the frame set + * look for it in the non-trajectory data (in tng_data). */ + for(i = tng_data->n_data_blocks; i-- ;) + { + data = &tng_data->non_tr_data[i]; + if(data->block_id == block_id) + { + block_index = i; + break; + } + } + if(block_index <= 0) + { + return(TNG_FAILURE); + } + } + + /* A bit hackish to create a new data struct before returning the data */ + new_data = malloc(sizeof(struct tng_data)); + + tng_allocate_data_mem(tng_data, new_data, data->n_frames, + data->n_values_per_frame); + + switch(data->datatype) + { + case TNG_CHAR_DATA: + size = 1; + break; + case TNG_INT_DATA: + size = sizeof(int64_t); + break; + case TNG_FLOAT_DATA: + size = sizeof(float); + break; + case TNG_DOUBLE_DATA: + default: + size = sizeof(double); + } + + memcpy(new_data->values, data->values, size * data->n_frames * + data->n_values_per_frame); + + values = &new_data->values; + return(TNG_SUCCESS); } @@ -6910,7 +6973,85 @@ tng_function_status tng_particle_data_get(tng_trajectory_t tng_data, int64_t block_id, union data_values ****values) { - /* STUB */ + int i, block_index, size; + int64_t n_particles; + struct tng_particle_data *data, *new_data; + struct tng_trajectory_frame_set *frame_set = + &tng_data->current_trajectory_frame_set; + + tng_block_type block_type_flag; + + block_index = -1; + /* See if there is already a data block of this ID. + * Start checking the last read frame set */ + for(i = frame_set->n_particle_data_blocks; i-- ;) + { + data = &frame_set->tr_particle_data[i]; + if(data->block_id == block_id) + { + block_index = i; + block_type_flag = TNG_TRAJECTORY_BLOCK; + break; + } + } + + if(block_index <= 0) + { + /* If the data block was not found in the frame set + * look for it in the non-trajectory data (in tng_data). */ + for(i = tng_data->n_particle_data_blocks; i-- ;) + { + data = &tng_data->non_tr_particle_data[i]; + if(data->block_id == block_id) + { + block_index = i; + block_type_flag = TNG_NON_TRAJECTORY_BLOCK; + break; + } + } + if(block_index <= 0) + { + return(TNG_FAILURE); + } + } + + if(block_type_flag == TNG_TRAJECTORY_BLOCK && + tng_data->var_num_atoms_flag) + { + n_particles = frame_set->n_particles; + } + else + { + n_particles = tng_data->n_particles; + } + + /* A bit hackish to create a new data struct before returning the data */ + new_data = malloc(sizeof(struct tng_particle_data)); + + tng_allocate_particle_data_mem(tng_data, new_data, data->n_frames, + n_particles, data->n_values_per_frame); + + switch(data->datatype) + { + case TNG_CHAR_DATA: + size = 1; + break; + case TNG_INT_DATA: + size = sizeof(int64_t); + break; + case TNG_FLOAT_DATA: + size = sizeof(float); + break; + case TNG_DOUBLE_DATA: + default: + size = sizeof(double); + } + + memcpy(new_data->values, data->values, size * data->n_frames * + n_particles * data->n_values_per_frame); + + values = &new_data->values; + return(TNG_SUCCESS); } |