diff options
author | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-11-11 15:11:46 (GMT) |
---|---|---|
committer | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-11-11 15:11:46 (GMT) |
commit | 14a70a3c5bb9e95dc49df20a7c2f162946eb8130 (patch) | |
tree | 8012452afb246c45ac434a5abea05f9b9d532fac /src/lib/tng_io.c | |
parent | 94c19e2294bc9e7a1c85f323f4d662cf78361f05 (diff) |
Added info about assertions in the docs.
Some more assertions added.
Diffstat (limited to 'src/lib/tng_io.c')
-rw-r--r-- | src/lib/tng_io.c | 204 |
1 files changed, 152 insertions, 52 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index efdee8c..5729297 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -6860,6 +6860,7 @@ tng_function_status tng_atom_name_set(tng_trajectory_t tng_data, (void)tng_data; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(new_name, "TNG library: new_name must not be a NULL pointer."); len = tng_min_i((int)strlen(new_name) + 1, TNG_MAX_STR_LEN); @@ -6894,6 +6895,7 @@ tng_function_status tng_atom_type_set(tng_trajectory_t tng_data, (void)tng_data; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(new_type, "TNG library: new_type must not be a NULL pointer."); len = tng_min_i((int)strlen(new_type) + 1, TNG_MAX_STR_LEN); @@ -6962,6 +6964,7 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_add tng_bool found_id = TNG_TRUE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); /* Find an unused ID */ id = 0; @@ -6996,6 +6999,7 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_w_id_add tng_function_status stat; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); new_molecules = realloc(tng_data->molecules, sizeof(struct tng_molecule) * @@ -7063,6 +7067,7 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_name_set (void)tng_data; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(new_name, "TNG library: new_name must not be a NULL pointer."); len = tng_min_i((int)strlen(new_name) + 1, TNG_MAX_STR_LEN); @@ -7097,6 +7102,7 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_cnt_get int64_t i, index = -1; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(cnt, "TNG library: cnt must not be a NULL pointer."); for(i = tng_data->n_molecules; i--;) { @@ -7154,6 +7160,7 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_find int64_t i, n_molecules; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); n_molecules = tng_data->n_molecules; @@ -7185,6 +7192,7 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_chain_find (void)tng_data; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); n_chains = molecule->n_chains; @@ -7211,6 +7219,9 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_chain_add const char *name, tng_chain_t *chain) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); + return(tng_molecule_chain_w_id_add(tng_data, molecule, name, molecule->n_chains + 1, chain)); } @@ -7227,6 +7238,7 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_chain_w_id_add tng_function_status stat; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); new_chains = realloc(molecule->chains, sizeof(struct tng_chain) * @@ -7329,6 +7341,7 @@ tng_function_status DECLSPECDLLEXPORT tng_chain_name_set (void)tng_data; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(new_name, "TNG library: new_name must not be a NULL pointer."); len = tng_min_i((int)strlen(new_name) + 1, TNG_MAX_STR_LEN); @@ -7366,6 +7379,7 @@ tng_function_status DECLSPECDLLEXPORT tng_chain_residue_find (void)tng_data; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); n_residues = chain->n_residues; @@ -7392,6 +7406,9 @@ tng_function_status DECLSPECDLLEXPORT tng_chain_residue_add const char *name, tng_residue_t *residue) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); + return(tng_chain_residue_w_id_add(tng_data, chain, name, chain->n_residues + 1, residue)); } @@ -7409,6 +7426,7 @@ tng_function_status DECLSPECDLLEXPORT tng_chain_residue_w_id_add tng_function_status stat = TNG_SUCCESS; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); if(chain->n_residues) { @@ -7498,6 +7516,7 @@ tng_function_status DECLSPECDLLEXPORT tng_residue_name_set(tng_trajectory_t tng_ (void)tng_data; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(new_name, "TNG library: new_name must not be a NULL pointer"); len = tng_min_i((int)strlen(new_name) + 1, TNG_MAX_STR_LEN); @@ -7531,6 +7550,10 @@ tng_function_status DECLSPECDLLEXPORT tng_residue_atom_add const char *atom_type, tng_atom_t *atom) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(atom_name, "TNG library: atom_name must not be a NULL pointer."); + TNG_ASSERT(atom_type, "TNG library: atom_type must not be a NULL pointer."); + return(tng_residue_atom_w_id_add(tng_data, residue, atom_name, atom_type, residue->chain->molecule->n_atoms + 1, atom)); @@ -7550,6 +7573,8 @@ tng_function_status DECLSPECDLLEXPORT tng_residue_atom_w_id_add tng_function_status stat = TNG_SUCCESS; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(atom_name, "TNG library: atom_name must not be a NULL pointer."); + TNG_ASSERT(atom_type, "TNG library: atom_type must not be a NULL pointer."); if(!residue->n_atoms) { @@ -7690,8 +7715,9 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_name_of_particle_nr_get tng_bool found = TNG_FALSE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); for(i = 0; i < tng_data->n_molecules; i++) { @@ -7729,8 +7755,9 @@ tng_function_status DECLSPECDLLEXPORT tng_molecule_id_of_particle_nr_get tng_bool found = TNG_FALSE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(id, "TNG library: id must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); for(i = 0; i < tng_data->n_molecules; i++) { @@ -7765,8 +7792,11 @@ tng_function_status DECLSPECDLLEXPORT tng_molsystem_bonds_get tng_bond_t bond; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(n_bonds, "TNG library: n_bonds must not be a NULL pointer."); + TNG_ASSERT(from_atoms, "TNG library: from_atoms must not be a NULL pointer."); + TNG_ASSERT(to_atoms, "TNG library: to_atoms must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); *n_bonds = 0; /* First count the total number of bonds to allocate memory */ @@ -7827,8 +7857,9 @@ tng_function_status DECLSPECDLLEXPORT tng_chain_name_of_particle_nr_get tng_bool found = TNG_FALSE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); for(i = 0; i < tng_data->n_molecules; i++) { @@ -7873,8 +7904,9 @@ tng_function_status DECLSPECDLLEXPORT tng_residue_name_of_particle_nr_get tng_bool found = TNG_FALSE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); for(i = 0; i < tng_data->n_molecules; i++) { @@ -7918,8 +7950,9 @@ tng_function_status DECLSPECDLLEXPORT tng_residue_id_of_particle_nr_get tng_bool found = TNG_FALSE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(id, "TNG library: id must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); for(i = 0; i < tng_data->n_molecules; i++) { @@ -7958,8 +7991,9 @@ tng_function_status DECLSPECDLLEXPORT tng_global_residue_id_of_particle_nr_get tng_bool found = TNG_FALSE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(id, "TNG library: id must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); for(i = 0; i < tng_data->n_molecules; i++) { @@ -8002,8 +8036,9 @@ tng_function_status DECLSPECDLLEXPORT tng_atom_name_of_particle_nr_get tng_bool found = TNG_FALSE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(name, "TNG library: name must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); for(i = 0; i < tng_data->n_molecules; i++) { @@ -8044,8 +8079,9 @@ tng_function_status tng_atom_type_of_particle_nr_get tng_bool found = TNG_FALSE; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(type, "TNG library: type must not be a NULL pointer."); - tng_molecule_cnt_list_get(tng_data, &molecule_cnt_list); + tng_molecule_cnt_list_get(tng_data, molecule_cnt_list); for(i = 0; i < tng_data->n_molecules; i++) { @@ -8697,7 +8733,6 @@ tng_function_status DECLSPECDLLEXPORT tng_trajectory_init_from_src(tng_trajector tng_trajectory_t dest; TNG_ASSERT(src != 0, "TNG library: Source trajectory must not be NULL."); - TNG_ASSERT(*dest_p == 0, "TNG library: Pointer to tng_trajectory_t must be NULL to initialise the trajectory"); *dest_p = malloc(sizeof(struct tng_trajectory)); if(!*dest_p) @@ -9588,6 +9623,7 @@ tng_function_status DECLSPECDLLEXPORT tng_time_per_frame_set tng_trajectory_frame_set_t frame_set; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(time >= 0, "TNG library: The time per frame must be >= 0."); frame_set = &tng_data->current_trajectory_frame_set; @@ -9701,7 +9737,7 @@ tng_function_status DECLSPECDLLEXPORT tng_num_molecules_get TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(n, "TNG library: n must not be a NULL pointer"); - tng_molecule_cnt_list_get(tng_data, &cnt_list); + tng_molecule_cnt_list_get(tng_data, cnt_list); for(i = tng_data->n_molecules; i --;) { @@ -9715,18 +9751,20 @@ tng_function_status DECLSPECDLLEXPORT tng_num_molecules_get tng_function_status DECLSPECDLLEXPORT tng_molecule_cnt_list_get (const tng_trajectory_t tng_data, - int64_t **mol_cnt_list) + int64_t *mol_cnt_list) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + if(tng_data->var_num_atoms_flag) { - *mol_cnt_list = tng_data->current_trajectory_frame_set. - molecule_cnt_list; + mol_cnt_list = tng_data->current_trajectory_frame_set. + molecule_cnt_list; } else { - *mol_cnt_list = tng_data->molecule_cnt_list; + mol_cnt_list = tng_data->molecule_cnt_list; } - if(*mol_cnt_list == 0) + if(mol_cnt_list == 0) { return(TNG_FAILURE); } @@ -9943,6 +9981,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_nr_find tng_function_status stat; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(nr >= 0, "The frame set number (nr) must be >= 0"); frame_set = &tng_data->current_trajectory_frame_set; @@ -10267,6 +10306,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_of_frame_find tng_function_status stat; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(frame >= 0, "TNG library: frame must be >= 0."); frame_set = &tng_data->current_trajectory_frame_set; @@ -10770,8 +10810,9 @@ tng_function_status DECLSPECDLLEXPORT tng_file_headers_read return(TNG_SUCCESS); } -tng_function_status DECLSPECDLLEXPORT tng_file_headers_write(tng_trajectory_t tng_data, - const char hash_mode) +tng_function_status DECLSPECDLLEXPORT tng_file_headers_write + (tng_trajectory_t tng_data, + const char hash_mode) { int i; tng_gen_block_t data_block; @@ -10861,8 +10902,6 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_read_next(tng_trajectory_t t tng_function_status stat; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); - TNG_ASSERT(tng_data->first_trajectory_frame_set_input_file_pos || tng_data->current_trajectory_frame_set.next_frame_set_file_pos, "TNG library: pos must not be a NULL pointer"); - if(tng_input_file_init(tng_data) != TNG_SUCCESS) { @@ -11049,8 +11088,8 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_new int64_t curr_pos; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); - TNG_ASSERT(first_frame >= 0, "TNG library: first_frame must be positive."); - TNG_ASSERT(n_frames >= 0, "TNG library: n_frames must be positive."); + TNG_ASSERT(first_frame >= 0, "TNG library: first_frame must be >= 0."); + TNG_ASSERT(n_frames >= 0, "TNG library: n_frames must be >= 0."); frame_set = &tng_data->current_trajectory_frame_set; @@ -11249,9 +11288,9 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_with_time_new tng_function_status stat; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); - TNG_ASSERT(first_frame >= 0, "TNG library: first_frame must be positive."); - TNG_ASSERT(n_frames >= 0, "TNG library: n_frames must be positive."); - TNG_ASSERT(first_frame_time >= 0, "TNG library: first_frame_time must be positive."); + TNG_ASSERT(first_frame >= 0, "TNG library: first_frame must be >= 0."); + TNG_ASSERT(n_frames >= 0, "TNG library: n_frames must be >= 0."); + TNG_ASSERT(first_frame_time >= 0, "TNG library: first_frame_time must be >= 0."); stat = tng_frame_set_new(tng_data, first_frame, n_frames); @@ -11269,7 +11308,7 @@ tng_function_status DECLSPECDLLEXPORT tng_frame_set_first_frame_time_set const double first_frame_time) { TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); - TNG_ASSERT(first_frame_time >= 0, "TNG library: first_frame_time must be positive."); + TNG_ASSERT(first_frame_time >= 0, "TNG library: first_frame_time must be >= 0."); tng_data->current_trajectory_frame_set.first_frame_time = first_frame_time; @@ -11296,8 +11335,7 @@ tng_function_status DECLSPECDLLEXPORT tng_data_block_add int64_t n_frames_div; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); - TNG_ASSERT(block_name, "TNG library: block_name mustnot be a NULL pointer."); - TNG_ASSERT(n_frames > 0, "TNG library: n_frames must be a positive integer."); + TNG_ASSERT(block_name, "TNG library: block_name must not be a NULL pointer."); TNG_ASSERT(n_values_per_frame > 0, "TNG library: n_values_per_frame must be a positive integer."); frame_set = &tng_data->current_trajectory_frame_set; @@ -11443,7 +11481,6 @@ tng_function_status DECLSPECDLLEXPORT tng_particle_data_block_add TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(block_name, "TNG library: block_name mustnot be a NULL pointer."); - TNG_ASSERT(n_frames > 0, "TNG library: n_frames must be a positive integer."); TNG_ASSERT(n_values_per_frame > 0, "TNG library: n_values_per_frame must be a positive integer."); TNG_ASSERT(num_first_particle >= 0, "TNG library: num_first_particle must be >= 0."); TNG_ASSERT(n_particles >= 0, "TNG library: n_particles must be >= 0."); @@ -14243,6 +14280,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_open const char mode, tng_trajectory_t *tng_data_p) { + TNG_ASSERT(filename, "TNG library: filename must not be a NULL pointer."); + if(mode != 'r' && mode != 'w' && mode != 'a') { return(TNG_FAILURE); @@ -14305,6 +14344,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_time_of_frame_get { int64_t first_frame; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(time, "TNG library: time must not be a NULL pointer"); tng_trajectory_frame_set_t frame_set; @@ -14340,6 +14380,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecules_get tng_trajectory_frame_set_t frame_set; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(n_mols, "TNG library: n_mols must not be a NULL pointer."); *n_mols = tng_data->n_molecules; @@ -14489,6 +14530,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_read char type; tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(positions, "TNG library: positions must not be a NULL pointer"); TNG_ASSERT(stride_length, "TNG library: stride_length must not be a NULL pointer"); stat = tng_num_frames_get(tng_data, &n_frames); @@ -14516,6 +14559,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_read char type; tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(velocities, "TNG library: velocities must not be a NULL pointer"); TNG_ASSERT(stride_length, "TNG library: stride_length must not be a NULL pointer"); stat = tng_num_frames_get(tng_data, &n_frames); @@ -14543,6 +14588,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_read char type; tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(forces, "TNG library: forces must not be a NULL pointer"); TNG_ASSERT(stride_length, "TNG library: stride_length must not be a NULL pointer"); stat = tng_num_frames_get(tng_data, &n_frames); @@ -14571,6 +14618,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_read char type; tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(box_shape, "TNG library: box_shape must not be a NULL pointer"); TNG_ASSERT(stride_length, "TNG library: stride_length must not be a NULL pointer"); stat = tng_num_frames_get(tng_data, &n_frames); @@ -14600,6 +14649,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_read_range char type; tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(positions, "TNG library: positions must not be a NULL pointer"); TNG_ASSERT(first_frame <= last_frame, "TNG library: first_frame must be lower or equal to last_frame."); TNG_ASSERT(stride_length, "TNG library: stride_length must not be a NULL pointer"); @@ -14626,6 +14677,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_read_range char type; tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(velocities, "TNG library: velocities must not be a NULL pointer"); TNG_ASSERT(first_frame <= last_frame, "TNG library: first_frame must be lower or equal to last_frame."); TNG_ASSERT(stride_length, "TNG library: stride_length must not be a NULL pointer"); @@ -14652,6 +14705,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_read_range char type; tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(forces, "TNG library: forces must not be a NULL pointer"); TNG_ASSERT(first_frame <= last_frame, "TNG library: first_frame must be lower or equal to last_frame."); TNG_ASSERT(stride_length, "TNG library: stride_length must not be a NULL pointer"); @@ -14678,6 +14733,8 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_read_range char type; tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); + TNG_ASSERT(box_shape, "TNG library: box_shape must not be a NULL pointer"); TNG_ASSERT(first_frame <= last_frame, "TNG library: first_frame must be lower or equal to last_frame."); TNG_ASSERT(stride_length, "TNG library: stride_length must not be a NULL pointer"); @@ -14708,8 +14765,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_interval_set tng_function_status stat; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); - TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); - TNG_ASSERT(block_name, "TNG library: block_name must not be a NULL pointer"); + TNG_ASSERT(i >= 0, "TNG library: i (writing interval) must be >= 0."); if(i <= 0) { @@ -14743,12 +14799,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_interval_set != TNG_SUCCESS) { stat = tng_particle_data_block_add(tng_data, block_id, - block_name, - TNG_FLOAT_DATA, - TNG_TRAJECTORY_BLOCK, - n_frames, n_values_per_frame, i, - 0, n_particles, - compression, 0); + block_name, + TNG_FLOAT_DATA, + TNG_TRAJECTORY_BLOCK, + n_frames, n_values_per_frame, i, + 0, n_particles, + compression, 0); if(stat != TNG_SUCCESS) { printf("TNG library: Error %s adding data block. %s: %d\n", block_name, @@ -14769,7 +14825,19 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_interval_set } else { - p_data->stride_length = i; + if(p_data->stride_length != i) + { + p_data->stride_length = i; + stat = tng_allocate_particle_data_mem(tng_data, p_data, n_frames, + i, n_particles, + n_values_per_frame); + if(stat != TNG_SUCCESS) + { + printf("TNG library: Error allocating particle data memory. %s: %d\n", + __FILE__, __LINE__); + return(stat); + } + } } } else @@ -14799,7 +14867,18 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_interval_set } else { - np_data->stride_length = i; + if(np_data->stride_length != i) + { + np_data->stride_length = i; + stat = tng_allocate_data_mem(tng_data, np_data, n_frames, + i, n_values_per_frame); + if(stat != TNG_SUCCESS) + { + printf("TNG library: Error allocating particle data memory. %s: %d\n", + __FILE__, __LINE__); + return(stat); + } + } } } @@ -14822,8 +14901,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write_interval_double_set tng_function_status stat; TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); - TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); - TNG_ASSERT(block_name, "TNG library: block_name must not be a NULL pointer"); + TNG_ASSERT(i >= 0, "TNG library: i (writing interval) must be >= 0."); if(i <= 0) { @@ -14940,6 +15018,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_write_interval_set (tng_trajectory_t tng_data, const int64_t i) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); return(tng_util_generic_write_interval_set(tng_data, i, 3, @@ -14953,6 +15032,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_write_interval_double_set (tng_trajectory_t tng_data, const int64_t i) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); return(tng_util_generic_write_interval_double_set(tng_data, i, 3, @@ -14975,6 +15055,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_write_interval_set (tng_trajectory_t tng_data, const int64_t i) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); return(tng_util_generic_write_interval_set(tng_data, i, 3, @@ -14988,6 +15069,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_write_interval_double_set (tng_trajectory_t tng_data, const int64_t i) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); return(tng_util_generic_write_interval_double_set(tng_data, i, 3, @@ -15010,6 +15092,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_write_interval_set (tng_trajectory_t tng_data, const int64_t i) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); return(tng_util_generic_write_interval_set(tng_data, i, 3, @@ -15023,6 +15106,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_write_interval_double_set (tng_trajectory_t tng_data, const int64_t i) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); return(tng_util_generic_write_interval_double_set(tng_data, i, 3, @@ -15045,6 +15129,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write_interval_set (tng_trajectory_t tng_data, const int64_t i) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); return(tng_util_generic_write_interval_set(tng_data, i, 9, @@ -15058,6 +15143,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write_interval_double_s (tng_trajectory_t tng_data, const int64_t i) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(i > 0, "TNG library: i (writing interval) must be >= 0."); return(tng_util_generic_write_interval_double_set(tng_data, i, 9, @@ -15096,7 +15182,6 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(values, "TNG library: values must not be a NULL pointer"); - TNG_ASSERT(block_name, "TNG library: block_name must not be a NULL pointer"); if(particle_dependency == TNG_PARTICLE_BLOCK_DATA) { @@ -15162,13 +15247,13 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_write != TNG_SUCCESS) { stat = tng_particle_data_block_add(tng_data, block_id, - block_name, - TNG_FLOAT_DATA, - block_type_flag, - n_frames, n_values_per_frame, - stride_length, - 0, n_particles, - compression, 0); + block_name, + TNG_FLOAT_DATA, + block_type_flag, + n_frames, n_values_per_frame, + stride_length, + 0, n_particles, + compression, 0); if(stat != TNG_SUCCESS) { printf("TNG library: Error %s adding data block. %s: %d\n", block_name, @@ -15285,7 +15370,6 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_double_write TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(values, "TNG library: values must not be a NULL pointer"); - TNG_ASSERT(block_name, "TNG library: block_name must not be a NULL pointer"); if(particle_dependency == TNG_PARTICLE_BLOCK_DATA) { @@ -15459,6 +15543,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_write const int64_t frame_nr, const float *positions) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(positions, "TNG library: positions must not be a NULL pointer"); @@ -15473,6 +15558,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_double_write const int64_t frame_nr, const double *positions) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(positions, "TNG library: positions must not be a NULL pointer"); @@ -15487,6 +15573,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_write const int64_t frame_nr, const float *velocities) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(velocities, "TNG library: velocities must not be a NULL pointer"); @@ -15501,6 +15588,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_double_write const int64_t frame_nr, const double *velocities) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(velocities, "TNG library: velocities must not be a NULL pointer"); @@ -15515,6 +15603,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_write const int64_t frame_nr, const float *forces) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(forces, "TNG library: forces must not be a NULL pointer"); @@ -15529,6 +15618,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_double_write const int64_t frame_nr, const double *forces) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(forces, "TNG library: forces must not be a NULL pointer"); @@ -15543,6 +15633,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_write const int64_t frame_nr, const float *box_shape) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(box_shape, "TNG library: box_shape must not be a NULL pointer"); @@ -15557,6 +15648,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_double_write const int64_t frame_nr, const double *box_shape) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(box_shape, "TNG library: box_shape must not be a NULL pointer"); @@ -15579,10 +15671,10 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_with_time_write { tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(values, "TNG library: values must not be a NULL pointer"); - TNG_ASSERT(block_name, "TNG library: block_name must not be a NULL pointer"); stat = tng_util_generic_write(tng_data, frame_nr, values, n_values_per_frame, block_id, block_name, @@ -15613,10 +15705,10 @@ tng_function_status DECLSPECDLLEXPORT tng_util_generic_with_time_double_write { tng_function_status stat; + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(values, "TNG library: values must not be a NULL pointer"); - TNG_ASSERT(block_name, "TNG library: block_name must not be a NULL pointer"); stat = tng_util_generic_double_write(tng_data, frame_nr, values, n_values_per_frame, block_id, block_name, @@ -15640,6 +15732,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_with_time_write const double time, const float *positions) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(positions, "TNG library: positions must not be a NULL pointer"); @@ -15656,6 +15749,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_pos_with_time_double_write const double time, const double *positions) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(positions, "TNG library: positions must not be a NULL pointer"); @@ -15674,6 +15768,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_with_time_write const double time, const float *velocities) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(velocities, "TNG library: velocities must not be a NULL pointer"); @@ -15692,6 +15787,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_vel_with_time_double_write const double time, const double *velocities) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(velocities, "TNG library: velocities must not be a NULL pointer"); @@ -15710,6 +15806,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_with_time_write const double time, const float *forces) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(forces, "TNG library: forces must not be a NULL pointer"); @@ -15726,6 +15823,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_force_with_time_double_write const double time, const double *forces) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(forces, "TNG library: forces must not be a NULL pointer"); @@ -15743,6 +15841,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_with_time_write const double time, const float *box_shape) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(box_shape, "TNG library: box_shape must not be a NULL pointer"); @@ -15759,6 +15858,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_box_shape_with_time_double_write const double time, const double *box_shape) { + TNG_ASSERT(tng_data, "TNG library: Trajectory container not properly setup."); TNG_ASSERT(frame_nr >= 0, "TNG library: frame_nr must be >= 0."); TNG_ASSERT(time >= 0, "TNG library: time must be >= 0."); TNG_ASSERT(box_shape, "TNG library: box_shape must not be a NULL pointer"); |