diff options
Diffstat (limited to 'src')
| -rw-r--r-- | src/lib/tng_io.c | 154 | ||||
| -rw-r--r-- | src/tests/tng_io_testing.c | 26 |
2 files changed, 19 insertions, 161 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index 437b3b5..dcf1098 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -6891,9 +6891,8 @@ tng_function_status tng_data_get(tng_trajectory_t tng_data, int64_t block_id, union data_values ***values) { - int64_t n_frames, n_vals_per_frame; - int i, j, block_index, size, len; - struct tng_data *data, *new_data; + int i, block_index; + struct tng_data *data; struct tng_trajectory_frame_set *frame_set = &tng_data->current_trajectory_frame_set; @@ -6929,63 +6928,7 @@ tng_function_status tng_data_get(tng_trajectory_t tng_data, } } - /* A bit hackish to create a new data struct before returning the data */ - new_data = malloc(sizeof(struct tng_data)); - - new_data->n_values_per_frame = 0; - new_data->n_frames = 0; - new_data->values = 0; - n_vals_per_frame = data->n_values_per_frame; - if(tng_allocate_data_mem(tng_data, new_data, data->n_frames, - n_vals_per_frame) != TNG_SUCCESS) - { - return(TNG_CRITICAL); - } - - n_frames = max(1, data->n_frames); - - *values = new_data->values; - switch(data->datatype) - { - case TNG_CHAR_DATA: - for(i=n_frames; i--;) - { - for(j=n_vals_per_frame; j--;) - { - len = strlen(data->values[i][j].c) + 1; - (*values)[i][j].c = malloc(len); - strncpy((*values)[i][j].c, data->values[i][j].c, len); - } - } - break; - case TNG_INT_DATA: - for(i=n_frames; i--;) - { - for(j=n_vals_per_frame; j--;) - { - (*values)[i][j].i = data->values[i][j].i; - } - } - break; - case TNG_FLOAT_DATA: - for(i=n_frames; i--;) - { - for(j=n_vals_per_frame; j--;) - { - (*values)[i][j].f = data->values[i][j].f; - } - } - break; - case TNG_DOUBLE_DATA: - default: - for(i=n_frames; i--;) - { - for(j=n_vals_per_frame; j--;) - { - (*values)[i][j].d = data->values[i][j].d; - } - } - } + *values = data->values; return(TNG_SUCCESS); } @@ -7004,15 +6947,11 @@ tng_function_status tng_particle_data_get(tng_trajectory_t tng_data, int64_t block_id, union data_values ****values) { - int64_t n_frames, n_vals_per_frame; - int i, j, k, block_index, size, len; - int64_t n_particles; - struct tng_particle_data *data, *new_data; + int i, block_index; + struct tng_particle_data *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 */ @@ -7022,7 +6961,6 @@ tng_function_status tng_particle_data_get(tng_trajectory_t tng_data, if(data->block_id == block_id) { block_index = i; - block_type_flag = TNG_TRAJECTORY_BLOCK; break; } } @@ -7037,7 +6975,6 @@ tng_function_status tng_particle_data_get(tng_trajectory_t tng_data, if(data->block_id == block_id) { block_index = i; - block_type_flag = TNG_NON_TRAJECTORY_BLOCK; break; } } @@ -7049,86 +6986,7 @@ tng_function_status tng_particle_data_get(tng_trajectory_t tng_data, } } - 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)); - - new_data->n_values_per_frame = 0; - new_data->n_frames = 0; - new_data->values = 0; - n_vals_per_frame = data->n_values_per_frame; - if(tng_allocate_particle_data_mem(tng_data, new_data, data->n_frames, - n_particles, data->n_values_per_frame) != - TNG_SUCCESS) - { - return(TNG_CRITICAL); - } - - n_frames = max(1, data->n_frames); - - *values = new_data->values; - switch(data->datatype) - { - case TNG_CHAR_DATA: - for(i=n_frames; i--;) - { - for(j=n_particles; j--;) - { - for(k=n_vals_per_frame; k--;) - { - len = strlen(data->values[i][j][k].c) + 1; - (*values)[i][j][k].c = malloc(len); - strncpy((*values)[i][j][k].c, data->values[i][j][k].c, len); - } - } - } - break; - case TNG_INT_DATA: - for(i=n_frames; i--;) - { - for(j=n_particles; j--;) - { - for(k=n_vals_per_frame; k--;) - { - (*values)[i][j][k].i = data->values[i][j][k].i; - } - } - } - break; - case TNG_FLOAT_DATA: - for(i=n_frames; i--;) - { - for(j=n_particles; j--;) - { - for(k=n_vals_per_frame; k--;) - { - (*values)[i][j][k].f = data->values[i][j][k].f; - } - } - } - break; - case TNG_DOUBLE_DATA: - default: - for(i=n_frames; i--;) - { - for(j=n_particles; j--;) - { - for(k=n_vals_per_frame; k--;) - { - (*values)[i][j][k].d = data->values[i][j][k].d; - } - } - } - } + *values = data->values; return(TNG_SUCCESS); } diff --git a/src/tests/tng_io_testing.c b/src/tests/tng_io_testing.c index 506a5b4..addb9cf 100644 --- a/src/tests/tng_io_testing.c +++ b/src/tests/tng_io_testing.c @@ -276,15 +276,15 @@ tng_function_status tng_test_get_box_data(tng_trajectory_t traj) } - int64_t i; - - printf("Box shape:"); - - for(i = 0; i<9; i++) - { - printf("\t%f", (values[0][i]).d); - } - printf("\n"); +// int64_t i; +// +// printf("Box shape:"); +// +// for(i = 0; i<9; i++) +// { +// printf("\t%f", (values[0][i]).d); +// } +// printf("\n"); return(TNG_SUCCESS); } @@ -358,12 +358,12 @@ int main() if(tng_test_get_box_data(&traj) != TNG_SUCCESS) { - printf("Test Get data:\t\t\tFailed. %s: %d\n", + printf("Test Get data:\t\t\t\t\tFailed. %s: %d\n", __FILE__, __LINE__); } else { - printf("Test Get data:\t\t\tSucceeded.\n"); + printf("Test Get data:\t\t\t\t\tSucceeded.\n"); } if(tng_trajectory_destroy(&traj) == TNG_CRITICAL || @@ -392,12 +392,12 @@ int main() if(tng_test_get_positions_data(&traj) != TNG_SUCCESS) { - printf("Test Get particle data:\t\t\tFailed. %s: %d\n", + printf("Test Get particle data:\t\t\t\tFailed. %s: %d\n", __FILE__, __LINE__); } else { - printf("Test Get particle data:\t\t\tSucceeded.\n"); + printf("Test Get particle data:\t\t\t\tSucceeded.\n"); } if(tng_trajectory_destroy(&traj) == TNG_CRITICAL) |