diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/lib/tng_io.c | 119 | ||||
| -rw-r--r-- | src/lib/tng_io.h | 7 |
2 files changed, 74 insertions, 52 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index 88e2130..c9848ab 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -3338,19 +3338,31 @@ static tng_function_status tng_particle_data_block_write { int64_t n_particles, num_first_particle, n_frames; int i, j, k, offset = 0, size, len; - char temp, *temp_name; + char dependency, temp, *temp_name; union data_values **first_dim_values, *second_dim_values; tng_trajectory_frame_set_t frame_set = &tng_data->current_trajectory_frame_set; tng_particle_data_t data; + tng_block_type block_type_flag; + + /* If we have already started writing frame sets it is too late to write + * non-trajectory data blocks */ + if(tng_data->current_trajectory_frame_set_output_file_pos > 0) + { + block_type_flag = TNG_TRAJECTORY_BLOCK; + } + else + { + block_type_flag = TNG_NON_TRAJECTORY_BLOCK; + } if(tng_output_file_init(tng_data) != TNG_SUCCESS) { return(TNG_CRITICAL); } - if(tng_data->current_trajectory_frame_set_output_file_pos > 0) + if(block_type_flag == TNG_TRAJECTORY_BLOCK) { data = &frame_set->tr_particle_data[block_index]; } @@ -3392,7 +3404,7 @@ static tng_function_status tng_particle_data_block_write strncpy(block->name, data->block_name, len); block->id = data->block_id; - /* If writing frame independent data data->n_frames is be 0, but n_frames + /* If writing frame independent data data->n_frames is 0, but n_frames is used for the loop writing the data (and reserving memory) and needs to be at least 1 */ n_frames = max(1, data->n_frames); @@ -3416,7 +3428,7 @@ static tng_function_status tng_particle_data_block_write } } - block->block_contents_size = sizeof(char) * 3 + + block->block_contents_size = sizeof(char) * 2 + sizeof(data->n_values_per_frame) + sizeof(data->codec_id) + sizeof(num_first_particle) + @@ -3450,6 +3462,19 @@ static tng_function_status tng_particle_data_block_write data->n_values_per_frame; } + if(block_type_flag == TNG_TRAJECTORY_BLOCK && data->n_frames > 0) + { + dependency = TNG_FRAME_DEPENDENT + TNG_PARTICLE_DEPENDENT; + } + else + { + dependency = TNG_PARTICLE_DEPENDENT; + } + if(dependency & TNG_FRAME_DEPENDENT) + { + block->block_contents_size += sizeof(char); + } + if(block->block_contents) { free(block->block_contents); @@ -3466,27 +3491,22 @@ static tng_function_status tng_particle_data_block_write memcpy(block->block_contents, &data->datatype, sizeof(char)); offset += sizeof(char); - if(data->n_frames > 0) - { - temp = TNG_FRAME_DEPENDENT + TNG_PARTICLE_DEPENDENT; - } - else - { - temp = TNG_PARTICLE_DEPENDENT; - } - memcpy(block->block_contents+offset, &temp, sizeof(char)); + memcpy(block->block_contents+offset, &dependency, sizeof(char)); offset += sizeof(char); - if(data->n_frames > 0 && data->stride_length > 1) - { - temp = 1; - } - else + if(dependency & TNG_FRAME_DEPENDENT) { - temp = 0; + if(data->stride_length > 1) + { + temp = 1; + } + else + { + temp = 0; + } + memcpy(block->block_contents+offset, &temp, sizeof(char)); + offset += sizeof(char); } - memcpy(block->block_contents+offset, &temp, sizeof(char)); - offset += sizeof(char); memcpy(block->block_contents+offset, &data->n_values_per_frame, sizeof(data->n_values_per_frame)); @@ -4049,13 +4069,15 @@ static tng_function_status tng_data_block_write(tng_trajectory_t tng_data, { int64_t n_frames; int i, j, offset = 0, size, len; - char temp, *temp_name; + char temp, dependency, *temp_name; tng_trajectory_frame_set_t frame_set = &tng_data->current_trajectory_frame_set; tng_non_particle_data_t data; tng_block_type block_type_flag; + /* If we have already started writing frame sets it is too late to write + * non-trajectory data blocks */ if(tng_data->current_trajectory_frame_set_output_file_pos > 0) { block_type_flag = TNG_TRAJECTORY_BLOCK; @@ -4143,7 +4165,15 @@ static tng_function_status tng_data_block_write(tng_trajectory_t tng_data, data->n_values_per_frame; } - if(data->n_frames > 0 || data->stride_length != 0) + if(block_type_flag == TNG_TRAJECTORY_BLOCK && data->n_frames > 0) + { + dependency = TNG_FRAME_DEPENDENT; + } + else + { + dependency = 0; + } + if(dependency & TNG_FRAME_DEPENDENT) { block->block_contents_size += sizeof(char); } @@ -4164,18 +4194,10 @@ static tng_function_status tng_data_block_write(tng_trajectory_t tng_data, memcpy(block->block_contents, &data->datatype, sizeof(char)); offset += sizeof(char); - if(data->n_frames > 0 || data->stride_length != 0) - { - temp = TNG_FRAME_DEPENDENT; - } - else - { - temp = 0; - } - memcpy(block->block_contents+offset, &temp, sizeof(char)); + memcpy(block->block_contents+offset, &dependency, sizeof(char)); offset += sizeof(char); - if(data->n_frames > 0) + if(dependency & TNG_FRAME_DEPENDENT) { if(data->stride_length > 1) { @@ -6049,15 +6071,15 @@ tng_function_status tng_trajectory_destroy(tng_trajectory_t *tng_data_p) for(i = tng_data->n_particle_data_blocks; i--; ) { tng_particle_data_values_free(tng_data, - tng_data->non_tr_particle_data[i]. - values, - tng_data->non_tr_particle_data[i]. - n_frames, - n_particles, - tng_data->non_tr_particle_data[i]. - n_values_per_frame, - tng_data->non_tr_particle_data[i]. - datatype); + tng_data->non_tr_particle_data[i]. + values, + max(1, tng_data->non_tr_particle_data[i]. + n_frames), + n_particles, + tng_data->non_tr_particle_data[i]. + n_values_per_frame, + tng_data->non_tr_particle_data[i]. + datatype); if(tng_data->non_tr_particle_data[i].block_name) { @@ -9469,12 +9491,13 @@ tng_function_status tng_data_values_free(const tng_trajectory_t tng_data, } -tng_function_status tng_particle_data_values_free(const tng_trajectory_t tng_data, - union data_values ***values, - const int64_t n_frames, - const int64_t n_particles, - const int64_t n_values_per_frame, - const tng_data_type type) +tng_function_status tng_particle_data_values_free + (const tng_trajectory_t tng_data, + union data_values ***values, + const int64_t n_frames, + const int64_t n_particles, + const int64_t n_values_per_frame, + const tng_data_type type) { int i, j, k; diff --git a/src/lib/tng_io.h b/src/lib/tng_io.h index c535b5b..62ab60d 100644 --- a/src/lib/tng_io.h +++ b/src/lib/tng_io.h @@ -192,11 +192,10 @@ /** The version of this TNG build */ #define TNG_VERSION 1 -/** Flag to indicate particle dependent data. */ -#define TNG_PARTICLE_DEPENDENT 1 - /** Flag to indicate frame dependent data. */ -#define TNG_FRAME_DEPENDENT 2 +#define TNG_FRAME_DEPENDENT 1 +/** Flag to indicate particle dependent data. */ +#define TNG_PARTICLE_DEPENDENT 2 /** The maximum length of a date string */ #define TNG_MAX_DATE_STR_LEN 24 |