diff options
| author | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-01-25 17:14:10 (GMT) | 
|---|---|---|
| committer | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-01-25 17:14:10 (GMT) | 
| commit | 2f3d1ff70d0ba8e30a06bac70ddc22b572388871 (patch) | |
| tree | a84ea984af47ad376d25ef74d9e28d94691560fa /src/lib | |
| parent | c1918998f7169d3ee482c92837393d88d3333d27 (diff) | |
Move fortran wrapper from header to src file
Diffstat (limited to 'src/lib')
| -rw-r--r-- | src/lib/tng_io.c | 756 | ||||
| -rw-r--r-- | src/lib/tng_io.h | 684 | 
2 files changed, 756 insertions, 684 deletions
| diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index d60f0fd..eeba683 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -10333,3 +10333,759 @@ tng_function_status tng_time_get_str(const tng_trajectory_t tng_data,      return(TNG_SUCCESS);  } + +/* The following is for calling the library from fortran */ + +tng_function_status tng_trajectory_init_(tng_trajectory_t *tng_data_p) +{ +    return(tng_trajectory_init(tng_data_p)); +} + +tng_function_status tng_trajectory_destroy_(tng_trajectory_t *tng_data_p) +{ +    return(tng_trajectory_destroy(tng_data_p)); +} + +tng_function_status tng_trajectory_init_from_src_(tng_trajectory_t src, +                                                   tng_trajectory_t *dest_p) +{ +    return(tng_trajectory_init_from_src(src, dest_p)); +} + +tng_function_status tng_input_file_get_(const tng_trajectory_t tng_data, +                                        char *file_name, const int max_len) +{ +    return(tng_input_file_get(tng_data, file_name, max_len)); +} + +tng_function_status tng_input_file_set_(tng_trajectory_t tng_data, +                                        const char *file_name, int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, file_name, name_len); +    name[name_len] = 0; +    stat = tng_input_file_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_output_file_get_(const tng_trajectory_t tng_data, +                                         char *file_name, const int max_len) +{ +    return(tng_output_file_get(tng_data, file_name, max_len)); +} + +tng_function_status tng_output_file_set_(tng_trajectory_t tng_data, +                                         const char *file_name, int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, file_name, name_len); +    name[name_len] = 0; +    stat = tng_output_file_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_first_program_name_get_(const tng_trajectory_t tng_data, +                                                char *name, const int max_len) +{ +    return(tng_first_program_name_get(tng_data, name, max_len)); +} + +tng_function_status tng_first_program_name_set_(tng_trajectory_t tng_data, +                                                const char *new_name, +                                                int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_first_program_name_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_last_program_name_get_(const tng_trajectory_t tng_data, +                                                char *name, const int max_len) +{ +    return(tng_last_program_name_get(tng_data, name, max_len)); +} + +tng_function_status tng_last_program_name_set_(tng_trajectory_t tng_data, +                                               const char *new_name, +                                               int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_last_program_name_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_first_user_name_get_(const tng_trajectory_t tng_data, +                                             char *name, const int max_len) +{ +    return(tng_first_user_name_get(tng_data, name, max_len)); +} + +tng_function_status tng_first_user_name_set_(tng_trajectory_t tng_data, +                                             const char *new_name, +                                             int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_first_user_name_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_last_user_name_get_(const tng_trajectory_t tng_data, +                                            char *name, const int max_len) +{ +    return(tng_last_user_name_get(tng_data, name, max_len)); +} + +tng_function_status tng_last_user_name_set_(tng_trajectory_t tng_data, +                                            const char *new_name, +                                            int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_last_user_name_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_first_computer_name_get_(const tng_trajectory_t tng_data, +                                                 char *name, const int max_len) +{ +    return(tng_first_computer_name_get(tng_data, name, max_len)); +} + +tng_function_status tng_first_computer_name_set_(tng_trajectory_t tng_data, +                                                 const char *new_name, +                                                 int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_first_computer_name_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_last_computer_name_get_(const tng_trajectory_t tng_data, +                                                 char *name, const int max_len) +{ +    return(tng_last_computer_name_get(tng_data, name, max_len)); +} + +tng_function_status tng_last_computer_name_set_(tng_trajectory_t tng_data, +                                                const char *new_name, +                                                int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_last_computer_name_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_first_signature_get_(const tng_trajectory_t tng_data, +                                             char *signature, const int max_len) +{ +    return(tng_first_signature_get(tng_data, signature, max_len)); +} + +tng_function_status tng_first_signature_set_(tng_trajectory_t tng_data, +                                             const char *signature, +                                             int sign_len) +{ +    char *sign = malloc(sign_len + 1); +    tng_function_status stat; + +    strncpy(sign, signature, sign_len); +    sign[sign_len] = 0; +    stat = tng_first_signature_set(tng_data, sign); +    free(sign); +    return(stat); +} + +tng_function_status tng_last_signature_get_(const tng_trajectory_t tng_data, +                                             char *signature, const int max_len) +{ +    return(tng_last_signature_get(tng_data, signature, max_len)); +} + +tng_function_status tng_last_signature_set_(tng_trajectory_t tng_data, +                                            const char *signature, +                                            int sign_len) +{ +    char *sign = malloc(sign_len + 1); +    tng_function_status stat; + +    strncpy(sign, signature, sign_len); +    sign[sign_len] = 0; +    stat = tng_last_signature_set(tng_data, sign); +    free(sign); +    return(stat); +} + +tng_function_status tng_forcefield_name_get_(const tng_trajectory_t tng_data, +                                             char *name, const int max_len) +{ +    return(tng_forcefield_name_get(tng_data, name, max_len)); +} + +tng_function_status tng_forcefield_name_set_(tng_trajectory_t tng_data, +                                             const char *new_name, +                                             int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_forcefield_name_set(tng_data, name); +    free(name); +    return(stat); +} + +tng_function_status tng_medium_stride_length_get_(const tng_trajectory_t tng_data, +                                                  int64_t *len) +{ +    return(tng_medium_stride_length_get(tng_data, len)); +} + +tng_function_status tng_medium_stride_length_set_(tng_trajectory_t tng_data, +                                                  const int64_t *len) +{ +    return(tng_medium_stride_length_set(tng_data, *len)); +} + +tng_function_status tng_long_stride_length_get_(const tng_trajectory_t tng_data, +                                                int64_t *len) +{ +    return(tng_long_stride_length_get(tng_data, len)); +} + +tng_function_status tng_long_stride_length_set_(tng_trajectory_t tng_data, +                                                const int64_t *len) +{ +    return(tng_long_stride_length_set(tng_data, *len)); +} + +tng_function_status tng_input_file_len_get_(const tng_trajectory_t tng_data, +                                            int64_t *len) +{ +    return(tng_input_file_len_get(tng_data, len)); +} + +tng_function_status tng_num_particles_get_(const tng_trajectory_t tng_data, +                                           int64_t *n) +{ +    return(tng_num_particles_get(tng_data, n)); +} + +tng_function_status tng_num_molecules_get_(const tng_trajectory_t tng_data, +                                           int64_t *n) +{ +    return(tng_num_molecules_get(tng_data, n)); +} + +tng_function_status tng_num_frames_per_frame_set_get_ +                (const tng_trajectory_t tng_data, +                 int64_t *n) +{ +    return(tng_num_frames_per_frame_set_get(tng_data, n)); +} + +tng_function_status tng_num_frame_sets_get_ +                (const tng_trajectory_t tng_data, +                 int64_t *n) +{ +    return(tng_num_frame_sets_get(tng_data, n)); +} + +tng_function_status tng_current_frame_set_get_ +                (tng_trajectory_t tng_data, +                 tng_trajectory_frame_set_t *frame_set_p) +{ +    return(tng_current_frame_set_get(tng_data, frame_set_p)); +} + +tng_function_status tng_frame_set_nr_find_(tng_trajectory_t tng_data, +                                        const int64_t *nr) +{ +    return(tng_frame_set_nr_find(tng_data, *nr)); +} + +tng_function_status tng_frame_set_of_frame_find_(tng_trajectory_t tng_data, +                                        const int64_t *frame) +{ +    return(tng_frame_set_of_frame_find(tng_data, *frame)); +} + +tng_function_status tng_frame_set_next_frame_set_file_pos_get_ +                (const tng_trajectory_t tng_data, +                 const tng_trajectory_frame_set_t frame_set, +                 int64_t *pos) +{ +    return(tng_frame_set_next_frame_set_file_pos_get(tng_data, frame_set, pos)); +} + +tng_function_status tng_frame_set_prev_frame_set_file_pos_get_ +                (const tng_trajectory_t tng_data, +                 const tng_trajectory_frame_set_t frame_set, +                 int64_t *pos) +{ +    return(tng_frame_set_prev_frame_set_file_pos_get(tng_data, frame_set, pos)); +} + +tng_function_status tng_frame_set_frame_range_get_ +                (const tng_trajectory_t tng_data, +                 const tng_trajectory_frame_set_t frame_set, +                 int64_t *first_frame, +                 int64_t *last_frame) +{ +    return(tng_frame_set_frame_range_get(tng_data, frame_set, first_frame, +                                         last_frame)); +} + +tng_function_status tng_molecule_init_(const tng_trajectory_t tng_data, +                                       tng_molecule_t molecule) +{ +    return(tng_molecule_init(tng_data, molecule)); +} + +tng_function_status tng_molecule_destroy_(const tng_trajectory_t tng_data, +                                          tng_molecule_t molecule) +{ +    return(tng_molecule_destroy(tng_data, molecule)); +} + +tng_function_status tng_molecule_add_(tng_trajectory_t tng_data, +                                     const char *name, +                                     tng_molecule_t *molecule, +                                     int name_len) +{ +    char *n = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(n, name, name_len); +    n[name_len] = 0; +    stat = tng_molecule_add(tng_data, n, molecule); +    free(n); +    return(stat); +} + +tng_function_status tng_molecule_name_set_(tng_trajectory_t tng_data, +                                           tng_molecule_t molecule, +                                           const char *new_name, +                                           int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_molecule_name_set(tng_data, molecule, name); +    free(name); +    return(stat); +} + +tng_function_status tng_molecule_cnt_get_(tng_trajectory_t tng_data, +                                          tng_molecule_t molecule, +                                          int64_t *cnt) +{ +    return(tng_molecule_cnt_get(tng_data, molecule, cnt)); +} + +tng_function_status tng_molecule_cnt_set_(tng_trajectory_t tng_data, +                                          tng_molecule_t molecule, +                                          int64_t *cnt) +{ +    return(tng_molecule_cnt_set(tng_data, molecule, *cnt)); +} + +tng_function_status tng_molecule_chain_add_(tng_trajectory_t tng_data, +                                            tng_molecule_t molecule, +                                            const char *name, +                                            tng_chain_t *chain, +                                            int name_len) +{ +    char *n = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(n, name, name_len); +    n[name_len] = 0; +    stat = tng_molecule_chain_add(tng_data, molecule, n, chain); +    free(n); +    return(stat); +} + +tng_function_status tng_chain_name_set_(tng_trajectory_t tng_data, +                                        tng_chain_t chain, +                                        const char *new_name, +                                        int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_chain_name_set(tng_data, chain, name); +    free(name); +    return(stat); +} + +tng_function_status tng_chain_residue_add_(tng_trajectory_t tng_data, +                                           tng_chain_t chain, +                                           const char *name, +                                           tng_residue_t *residue, +                                           int name_len) +{ +    char *n = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(n, name, name_len); +    n[name_len] = 0; +    stat = tng_chain_residue_add(tng_data, chain, n, residue); +    free(n); +    return(stat); +} + +tng_function_status tng_residue_name_set_(tng_trajectory_t tng_data, +                                          tng_residue_t residue, +                                          const char *new_name, +                                          int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_residue_name_set(tng_data, residue, name); +    free(name); +    return(stat); +} + +tng_function_status tng_residue_atom_add_(tng_trajectory_t tng_data, +                                          tng_residue_t residue, +                                          const char *atom_name, +                                          const char *atom_type, +                                          tng_atom_t *atom, +                                          int name_len, +                                          int type_len) +{ +    char *name = malloc(name_len + 1); +    char *type = malloc(type_len + 1); +    tng_function_status stat; + +    strncpy(name, atom_name, name_len); +    strncpy(type, atom_type, type_len); +    name[name_len] = 0; +    type[type_len] = 0; +    stat = tng_residue_atom_add(tng_data, residue, name, type, atom); +    free(name); +    free(type); +    return(stat); +} + +tng_function_status tng_atom_name_set_(tng_trajectory_t tng_data, +                                       tng_atom_t atom, +                                       const char *new_name, +                                       int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, new_name, name_len); +    name[name_len] = 0; +    stat = tng_atom_name_set(tng_data, atom, name); +    free(name); +    return(stat); +} + +tng_function_status tng_atom_type_set_(tng_trajectory_t tng_data, +                                       tng_atom_t atom, +                                       const char *new_type, +                                       int type_len) +{ +    char *type = malloc(type_len + 1); +    tng_function_status stat; + +    strncpy(type, new_type, type_len); +    type[type_len] = 0; +    stat = tng_atom_type_set(tng_data, atom, type); +    free(type); +    return(stat); +} + +tng_function_status tng_molecule_name_of_particle_nr_get_ +                (const tng_trajectory_t tng_data, +                 const int64_t nr, +                 char *name, +                 int max_len) +{ +    return(tng_molecule_name_of_particle_nr_get(tng_data, nr, name, max_len)); +} + +tng_function_status tng_chain_name_of_particle_nr_get_ +                (const tng_trajectory_t tng_data, +                 const int64_t nr, +                 char *name, +                 int max_len) +{ +    return(tng_chain_name_of_particle_nr_get(tng_data, nr, name, max_len)); +} + +tng_function_status tng_residue_name_of_particle_nr_get_ +                (const tng_trajectory_t tng_data, +                 const int64_t nr, +                 char *name, +                 int max_len) +{ +    return(tng_residue_name_of_particle_nr_get(tng_data, nr, name, max_len)); +} + +tng_function_status tng_atom_name_of_particle_nr_get_ +                (const tng_trajectory_t tng_data, +                 const int64_t nr, +                 char *name, +                 int max_len) +{ +    return(tng_atom_name_of_particle_nr_get(tng_data, nr, name, max_len)); +} + +tng_function_status tng_atom_type_of_particle_nr_get_ +                (const tng_trajectory_t tng_data, +                 const int64_t nr, +                 char *type, +                 int max_len) +{ +    return(tng_atom_type_of_particle_nr_get(tng_data, nr, type, max_len)); +} + +tng_function_status tng_particle_mapping_add_ +                (tng_trajectory_t tng_data, +                 const int64_t *first_particle_number, +                 const int64_t *n_particles, +                 const int64_t *mapping_table) +{ +    return(tng_particle_mapping_add(tng_data, *first_particle_number, +                                    *n_particles, mapping_table)); +} + +tng_function_status tng_file_headers_read_(tng_trajectory_t tng_data, +                                           const tng_hash_mode *hash_mode) +{ +    return(tng_file_headers_read(tng_data, *hash_mode)); +} + +tng_function_status tng_file_headers_write_(tng_trajectory_t tng_data, +                                            const tng_hash_mode *hash_mode) +{ +    return(tng_file_headers_write(tng_data, *hash_mode)); +} + +tng_function_status tng_block_read_next_(tng_trajectory_t tng_data, +                                         tng_gen_block_t block_data, +                                         const tng_hash_mode *hash_mode) +{ +    return(tng_block_read_next(tng_data, block_data, *hash_mode)); +} + +tng_function_status tng_frame_set_read_next_(tng_trajectory_t tng_data, +                                             const tng_hash_mode *hash_mode) +{ +    return(tng_frame_set_read_next(tng_data, *hash_mode)); +} + +tng_function_status tng_frame_set_write_(tng_trajectory_t tng_data, +                                         const tng_hash_mode *hash_mode) +{ +    return(tng_frame_set_write(tng_data, *hash_mode)); +} + +tng_function_status tng_frame_set_new_(tng_trajectory_t tng_data, +                                       const int64_t *first_frame, +                                       const int64_t *n_frames) +{ +    return(tng_frame_set_new(tng_data, *first_frame, *n_frames)); +} + +tng_function_status 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, +                                        int64_t *n_frames, +                                        const int64_t *n_values_per_frame, +                                        const int64_t *stride_length, +                                        const int64_t *codec_id, +                                        void *new_data, +                                        int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, block_name, name_len); +    name[name_len] = 0; +    stat = tng_data_block_add(tng_data, *id, name, *datatype, *block_type_flag, +                              *n_frames, *n_values_per_frame, *stride_length, +                              *codec_id, new_data); +    free(name); +    return(stat); +} + +tng_function_status 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, +                 int64_t *n_frames, +                 const int64_t *n_values_per_frame, +                 const int64_t *stride_length, +                 const int64_t *first_particle_number, +                 const int64_t *n_particles, +                 const int64_t *codec_id, +                 void *new_data, +                 int name_len) +{ +    char *name = malloc(name_len + 1); +    tng_function_status stat; + +    strncpy(name, block_name, name_len); +    name[name_len] = 0; +    stat = tng_particle_data_block_add(tng_data, *id, name, *datatype, +                                       *block_type_flag, *n_frames, +                                       *n_values_per_frame, *stride_length, +                                       *first_particle_number, *n_particles, +                                       *codec_id, new_data); +    free(name); +    return(stat); +} + +tng_function_status tng_frame_data_write_(tng_trajectory_t tng_data, +                                          const int64_t *frame_nr, +                                          const int64_t *block_id, +                                          const void *data, +                                          const tng_hash_mode *hash_mode) +{ +    return(tng_frame_data_write(tng_data, *frame_nr, *block_id, data, +                                *hash_mode)); +} + +tng_function_status tng_frame_particle_data_write_(tng_trajectory_t tng_data, +                                                   const int64_t *frame_nr, +                                                   const int64_t *block_id, +                                                   const int64_t *val_first_particle, +                                                   const int64_t *val_n_particles, +                                                   const void *data, +                                                   const tng_hash_mode *hash_mode) +{ +    return(tng_frame_particle_data_write(tng_data, *frame_nr, *block_id, +                                         *val_first_particle, *val_n_particles, +                                         data, *hash_mode)); +} + +tng_function_status tng_data_values_free_(const tng_trajectory_t tng_data, +                                          union data_values **values, +                                          const int64_t *n_frames, +                                          const int64_t *n_values_per_frame, +                                          const tng_data_type *type) +{ +    return(tng_data_values_free(tng_data, values, *n_frames, +                                *n_values_per_frame, *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) +{ +    return(tng_particle_data_values_free(tng_data, values, *n_frames, *n_particles, +                                         *n_values_per_frame, *type)); +} + +tng_function_status tng_data_get_(tng_trajectory_t tng_data, +                                  const int64_t *block_id, +                                  union data_values ***values, +                                  int64_t *n_frames, +                                  int64_t *n_values_per_frame, +                                  tng_data_type *type) +{ +    return(tng_data_get(tng_data, *block_id, values, n_frames, +                        n_values_per_frame, type)); +} + +tng_function_status tng_data_interval_get_(tng_trajectory_t tng_data, +                                           const int64_t *block_id, +                                           const int64_t *start_frame_nr, +                                           const int64_t *end_frame_nr, +                                           const tng_hash_mode *hash_mode, +                                           union data_values ***values, +                                           int64_t *n_values_per_frame, +                                           tng_data_type *type) +{ +    return(tng_data_interval_get(tng_data, *block_id, *start_frame_nr, +                                 *end_frame_nr, *hash_mode, values, +                                 n_values_per_frame, type)); +} + +tng_function_status tng_particle_data_get_(tng_trajectory_t tng_data, +                                           const int64_t *block_id, +                                           union data_values ****values, +                                           int64_t *n_frames, +                                           int64_t *n_particles, +                                           int64_t *n_values_per_frame, +                                           tng_data_type *type) +{ +    return(tng_particle_data_get(tng_data, *block_id, values, n_frames, +                                 n_particles, n_values_per_frame, type)); +} + +tng_function_status tng_particle_data_interval_get_(tng_trajectory_t tng_data, +                                                    const int64_t *block_id, +                                                    const int64_t *start_frame_nr, +                                                    const int64_t *end_frame_nr, +                                                    const tng_hash_mode *hash_mode, +                                                    union data_values ****values, +                                                    int64_t *n_particles, +                                                    int64_t *n_values_per_frame, +                                                    tng_data_type *type) +{ +    return(tng_particle_data_interval_get(tng_data, *block_id, *start_frame_nr, +                                          *end_frame_nr, *hash_mode, values, +                                          n_particles, n_values_per_frame, +                                          type)); +} + +tng_function_status tng_time_get_str_(const tng_trajectory_t tng_data, +                                      char *time, int64_t str_len) +{ +    return(tng_time_get_str(tng_data, time)); +} diff --git a/src/lib/tng_io.h b/src/lib/tng_io.h index 577eee9..3289b60 100644 --- a/src/lib/tng_io.h +++ b/src/lib/tng_io.h @@ -358,10 +358,6 @@ extern "C"   * error has occured.   */  tng_function_status tng_trajectory_init(tng_trajectory_t *tng_data_p); -tng_function_status tng_trajectory_init_(tng_trajectory_t *tng_data_p) -{ -    return(tng_trajectory_init(tng_data_p)); -}  /**   * @brief Clean up a trajectory data container. @@ -371,10 +367,6 @@ tng_function_status tng_trajectory_init_(tng_trajectory_t *tng_data_p)   * @return TNG_SUCCESS (0) if successful.   */  tng_function_status tng_trajectory_destroy(tng_trajectory_t *tng_data_p); -tng_function_status tng_trajectory_destroy_(tng_trajectory_t *tng_data_p) -{ -    return(tng_trajectory_destroy(tng_data_p)); -}  /**   * @brief Copy a trajectory data container (dest is setup as well). @@ -390,11 +382,6 @@ tng_function_status tng_trajectory_destroy_(tng_trajectory_t *tng_data_p)   */  tng_function_status tng_trajectory_init_from_src(tng_trajectory_t src,                                                    tng_trajectory_t *dest_p); -tng_function_status tng_trajectory_init_from_src_(tng_trajectory_t src, -                                                   tng_trajectory_t *dest_p) -{ -    return(tng_trajectory_init_from_src(src, dest_p)); -}  /**   * @brief Get the name of the input file. @@ -408,11 +395,6 @@ tng_function_status tng_trajectory_init_from_src_(tng_trajectory_t src,   */  tng_function_status tng_input_file_get(const tng_trajectory_t tng_data,                                         char *file_name, const int max_len); -tng_function_status tng_input_file_get_(const tng_trajectory_t tng_data, -                                        char *file_name, const int max_len) -{ -    return(tng_input_file_get(tng_data, file_name, max_len)); -}  /**   * @brief Set the name of the input file. @@ -423,18 +405,6 @@ tng_function_status tng_input_file_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_input_file_set(tng_trajectory_t tng_data,                                         const char *file_name); -tng_function_status tng_input_file_set_(tng_trajectory_t tng_data, -                                        const char *file_name, int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, file_name, name_len); -    name[name_len] = 0; -    stat = tng_input_file_set(tng_data, name); -    free(name); -    return(stat); -}  /**   * @brief Get the name of the output file. @@ -448,11 +418,6 @@ tng_function_status tng_input_file_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_output_file_get(const tng_trajectory_t tng_data,                                          char *file_name, const int max_len); -tng_function_status tng_output_file_get_(const tng_trajectory_t tng_data, -                                         char *file_name, const int max_len) -{ -    return(tng_output_file_get(tng_data, file_name, max_len)); -}  /**   * @brief Set the name of the output file. @@ -463,18 +428,6 @@ tng_function_status tng_output_file_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_output_file_set(tng_trajectory_t tng_data,                                          const char *file_name); -tng_function_status tng_output_file_set_(tng_trajectory_t tng_data, -                                         const char *file_name, int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, file_name, name_len); -    name[name_len] = 0; -    stat = tng_output_file_set(tng_data, name); -    free(name); -    return(stat); -}  /**   * @brief Get the name of the program used when creating the trajectory. @@ -488,11 +441,6 @@ tng_function_status tng_output_file_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_first_program_name_get(const tng_trajectory_t tng_data,                                                 char *name, const int max_len); -tng_function_status tng_first_program_name_get_(const tng_trajectory_t tng_data, -                                                char *name, const int max_len) -{ -    return(tng_first_program_name_get(tng_data, name, max_len)); -}  /**   * @brief Set the name of the program used when creating the trajectory. @@ -503,19 +451,6 @@ tng_function_status tng_first_program_name_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_first_program_name_set(tng_trajectory_t tng_data,                                                 const char *new_name); -tng_function_status tng_first_program_name_set_(tng_trajectory_t tng_data, -                                                const char *new_name, -                                                int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_first_program_name_set(tng_data, name); -    free(name); -    return(stat); -}  /**   * @brief Get the name of the program used when last modifying the trajectory. @@ -529,11 +464,6 @@ tng_function_status tng_first_program_name_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_last_program_name_get(const tng_trajectory_t tng_data,                                                 char *name, const int max_len); -tng_function_status tng_last_program_name_get_(const tng_trajectory_t tng_data, -                                                char *name, const int max_len) -{ -    return(tng_last_program_name_get(tng_data, name, max_len)); -}  /**   * @brief Set the name of the program used when last modifying the trajectory. @@ -544,19 +474,6 @@ tng_function_status tng_last_program_name_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_last_program_name_set(tng_trajectory_t tng_data,                                                const char *new_name); -tng_function_status tng_last_program_name_set_(tng_trajectory_t tng_data, -                                               const char *new_name, -                                               int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_last_program_name_set(tng_data, name); -    free(name); -    return(stat); -}  /**   * @brief Get the name of the user who created the trajectory. @@ -570,11 +487,6 @@ tng_function_status tng_last_program_name_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_first_user_name_get(const tng_trajectory_t tng_data,                                              char *name, const int max_len); -tng_function_status tng_first_user_name_get_(const tng_trajectory_t tng_data, -                                             char *name, const int max_len) -{ -    return(tng_first_user_name_get(tng_data, name, max_len)); -}  /**   * @brief Set the name of the user who created the trajectory. @@ -585,19 +497,6 @@ tng_function_status tng_first_user_name_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_first_user_name_set(tng_trajectory_t tng_data,                                              const char *new_name); -tng_function_status tng_first_user_name_set_(tng_trajectory_t tng_data, -                                             const char *new_name, -                                             int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_first_user_name_set(tng_data, name); -    free(name); -    return(stat); -}  /**   * @brief Get the name of the user who last modified the trajectory. @@ -611,11 +510,6 @@ tng_function_status tng_first_user_name_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_last_user_name_get(const tng_trajectory_t tng_data,                                             char *name, const int max_len); -tng_function_status tng_last_user_name_get_(const tng_trajectory_t tng_data, -                                            char *name, const int max_len) -{ -    return(tng_last_user_name_get(tng_data, name, max_len)); -}  /**   * @brief Set the name of the user who last modified the trajectory. @@ -626,20 +520,6 @@ tng_function_status tng_last_user_name_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_last_user_name_set(tng_trajectory_t tng_data,                                             const char *new_name); -tng_function_status tng_last_user_name_set_(tng_trajectory_t tng_data, -                                            const char *new_name, -                                            int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_last_user_name_set(tng_data, name); -    free(name); -    return(stat); -} -  /**   * @brief Get the name of the computer used when creating the trajectory. @@ -653,11 +533,6 @@ tng_function_status tng_last_user_name_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_first_computer_name_get(const tng_trajectory_t tng_data,                                                  char *name, const int max_len); -tng_function_status tng_first_computer_name_get_(const tng_trajectory_t tng_data, -                                                 char *name, const int max_len) -{ -    return(tng_first_computer_name_get(tng_data, name, max_len)); -}  /**   * @brief Set the name of the computer used when creating the trajectory. @@ -668,19 +543,6 @@ tng_function_status tng_first_computer_name_get_(const tng_trajectory_t tng_data   */  tng_function_status tng_first_computer_name_set(tng_trajectory_t tng_data,                                                  const char *new_name); -tng_function_status tng_first_computer_name_set_(tng_trajectory_t tng_data, -                                                 const char *new_name, -                                                 int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_first_computer_name_set(tng_data, name); -    free(name); -    return(stat); -}  /**   * @brief Get the name of the computer used when last modifying the trajectory. @@ -694,11 +556,6 @@ tng_function_status tng_first_computer_name_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_last_computer_name_get(const tng_trajectory_t tng_data,                                                  char *name, const int max_len); -tng_function_status tng_last_computer_name_get_(const tng_trajectory_t tng_data, -                                                 char *name, const int max_len) -{ -    return(tng_last_computer_name_get(tng_data, name, max_len)); -}  /**   * @brief Set the name of the computer used when last modifying the trajectory. @@ -709,19 +566,6 @@ tng_function_status tng_last_computer_name_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_last_computer_name_set(tng_trajectory_t tng_data,                                                 const char *new_name); -tng_function_status tng_last_computer_name_set_(tng_trajectory_t tng_data, -                                                const char *new_name, -                                                int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_last_computer_name_set(tng_data, name); -    free(name); -    return(stat); -}  /**   * @brief Get the pgp_signature of the user creating the trajectory. @@ -735,11 +579,6 @@ tng_function_status tng_last_computer_name_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_first_signature_get(const tng_trajectory_t tng_data,                                              char *signature, const int max_len); -tng_function_status tng_first_signature_get_(const tng_trajectory_t tng_data, -                                             char *signature, const int max_len) -{ -    return(tng_first_signature_get(tng_data, signature, max_len)); -}  /**   * @brief Set the pgp_signature of the user creating the trajectory. @@ -750,19 +589,6 @@ tng_function_status tng_first_signature_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_first_signature_set(tng_trajectory_t tng_data,                                              const char *signature); -tng_function_status tng_first_signature_set_(tng_trajectory_t tng_data, -                                             const char *signature, -                                             int sign_len) -{ -    char *sign = malloc(sign_len + 1); -    tng_function_status stat; - -    strncpy(sign, signature, sign_len); -    sign[sign_len] = 0; -    stat = tng_first_signature_set(tng_data, sign); -    free(sign); -    return(stat); -}  /**   * @brief Get the pgp_signature of the user last modifying the trajectory. @@ -776,11 +602,6 @@ tng_function_status tng_first_signature_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_last_signature_get(const tng_trajectory_t tng_data,                                              char *signature, const int max_len); -tng_function_status tng_last_signature_get_(const tng_trajectory_t tng_data, -                                             char *signature, const int max_len) -{ -    return(tng_last_signature_get(tng_data, signature, max_len)); -}  /**   * @brief Set the pgp_signature of the user last modifying the trajectory. @@ -791,19 +612,6 @@ tng_function_status tng_last_signature_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_last_signature_set(tng_trajectory_t tng_data,                                             const char *signature); -tng_function_status tng_last_signature_set_(tng_trajectory_t tng_data, -                                            const char *signature, -                                            int sign_len) -{ -    char *sign = malloc(sign_len + 1); -    tng_function_status stat; - -    strncpy(sign, signature, sign_len); -    sign[sign_len] = 0; -    stat = tng_last_signature_set(tng_data, sign); -    free(sign); -    return(stat); -}  /**   * @brief Get the name of the forcefield used in the trajectory. @@ -817,11 +625,6 @@ tng_function_status tng_last_signature_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_forcefield_name_get(const tng_trajectory_t tng_data,                                              char *name, const int max_len); -tng_function_status tng_forcefield_name_get_(const tng_trajectory_t tng_data, -                                             char *name, const int max_len) -{ -    return(tng_forcefield_name_get(tng_data, name, max_len)); -}  /**   * @brief Set the name of the forcefield used in the trajectory. @@ -832,19 +635,6 @@ tng_function_status tng_forcefield_name_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_forcefield_name_set(tng_trajectory_t tng_data,                                              const char *new_name); -tng_function_status tng_forcefield_name_set_(tng_trajectory_t tng_data, -                                             const char *new_name, -                                             int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_forcefield_name_set(tng_data, name); -    free(name); -    return(stat); -}  /**   * @brief Get the medium stride length of the trajectory. @@ -854,11 +644,6 @@ tng_function_status tng_forcefield_name_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_medium_stride_length_get(const tng_trajectory_t tng_data,                                                   int64_t *len); -tng_function_status tng_medium_stride_length_get_(const tng_trajectory_t tng_data, -                                                  int64_t *len) -{ -    return(tng_medium_stride_length_get(tng_data, len)); -}  /**   * @brief Set the medium stride length of the trajectory. @@ -869,11 +654,6 @@ tng_function_status tng_medium_stride_length_get_(const tng_trajectory_t tng_dat   */  tng_function_status tng_medium_stride_length_set(tng_trajectory_t tng_data,                                                   const int64_t len); -tng_function_status tng_medium_stride_length_set_(tng_trajectory_t tng_data, -                                                  const int64_t *len) -{ -    return(tng_medium_stride_length_set(tng_data, *len)); -}  /**   * @brief Get the long stride length of the trajectory. @@ -883,11 +663,6 @@ tng_function_status tng_medium_stride_length_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_long_stride_length_get(const tng_trajectory_t tng_data,                                                 int64_t *len); -tng_function_status tng_long_stride_length_get_(const tng_trajectory_t tng_data, -                                                int64_t *len) -{ -    return(tng_long_stride_length_get(tng_data, len)); -}  /**   * @brief Set the long stride length of the trajectory. @@ -898,11 +673,6 @@ tng_function_status tng_long_stride_length_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_long_stride_length_set(tng_trajectory_t tng_data,                                                 const int64_t len); -tng_function_status tng_long_stride_length_set_(tng_trajectory_t tng_data, -                                                const int64_t *len) -{ -    return(tng_long_stride_length_set(tng_data, *len)); -}  /**   * @brief Get the length of the input file. @@ -912,11 +682,6 @@ tng_function_status tng_long_stride_length_set_(tng_trajectory_t tng_data,   */  tng_function_status tng_input_file_len_get(const tng_trajectory_t tng_data,                                             int64_t *len); -tng_function_status tng_input_file_len_get_(const tng_trajectory_t tng_data, -                                            int64_t *len) -{ -    return(tng_input_file_len_get(tng_data, len)); -}  /**   * @brief Get the current number of particles. @@ -928,11 +693,6 @@ tng_function_status tng_input_file_len_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_num_particles_get(const tng_trajectory_t tng_data,                                            int64_t *n); -tng_function_status tng_num_particles_get_(const tng_trajectory_t tng_data, -                                           int64_t *n) -{ -    return(tng_num_particles_get(tng_data, n)); -}  /**   * @brief Get the current total number of molecules. @@ -944,12 +704,6 @@ tng_function_status tng_num_particles_get_(const tng_trajectory_t tng_data,   */  tng_function_status tng_num_molecules_get(const tng_trajectory_t tng_data,                                            int64_t *n); -tng_function_status tng_num_molecules_get_(const tng_trajectory_t tng_data, -                                           int64_t *n) -{ -    return(tng_num_molecules_get(tng_data, n)); -} -  /**   * @brief Get the number of frames per frame set. @@ -961,12 +715,6 @@ tng_function_status tng_num_molecules_get_(const tng_trajectory_t tng_data,  tng_function_status tng_num_frames_per_frame_set_get                  (const tng_trajectory_t tng_data,                   int64_t *n); -tng_function_status tng_num_frames_per_frame_set_get_ -                (const tng_trajectory_t tng_data, -                 int64_t *n) -{ -    return(tng_num_frames_per_frame_set_get(tng_data, n)); -}  /**   * @brief Get the number of frame sets. @@ -979,12 +727,6 @@ tng_function_status tng_num_frames_per_frame_set_get_  tng_function_status tng_num_frame_sets_get                  (const tng_trajectory_t tng_data,                   int64_t *n); -tng_function_status tng_num_frame_sets_get_ -                (const tng_trajectory_t tng_data, -                 int64_t *n) -{ -    return(tng_num_frame_sets_get(tng_data, n)); -}  /**   * @brief Get the current trajectory frame set. @@ -996,12 +738,6 @@ tng_function_status tng_num_frame_sets_get_  tng_function_status tng_current_frame_set_get                  (tng_trajectory_t tng_data,                   tng_trajectory_frame_set_t *frame_set_p); -tng_function_status tng_current_frame_set_get_ -                (tng_trajectory_t tng_data, -                 tng_trajectory_frame_set_t *frame_set_p) -{ -    return(tng_current_frame_set_get(tng_data, frame_set_p)); -}  /**   * @brief Find the requested frame set number. @@ -1014,11 +750,6 @@ tng_function_status tng_current_frame_set_get_   */  tng_function_status tng_frame_set_nr_find(tng_trajectory_t tng_data,                                         const int64_t nr); -tng_function_status tng_frame_set_nr_find_(tng_trajectory_t tng_data, -                                        const int64_t *nr) -{ -    return(tng_frame_set_nr_find(tng_data, *nr)); -}  /**   * @brief Find the frame set containing a specific frame. @@ -1031,11 +762,6 @@ tng_function_status tng_frame_set_nr_find_(tng_trajectory_t tng_data,   */  tng_function_status tng_frame_set_of_frame_find(tng_trajectory_t tng_data,                                         const int64_t frame); -tng_function_status tng_frame_set_of_frame_find_(tng_trajectory_t tng_data, -                                        const int64_t *frame) -{ -    return(tng_frame_set_of_frame_find(tng_data, *frame)); -}  /**   * @brief Get the file position of the next frame set in the input file. @@ -1049,13 +775,6 @@ tng_function_status tng_frame_set_next_frame_set_file_pos_get                  (const tng_trajectory_t tng_data,                   const tng_trajectory_frame_set_t frame_set,                   int64_t *pos); -tng_function_status tng_frame_set_next_frame_set_file_pos_get_ -                (const tng_trajectory_t tng_data, -                 const tng_trajectory_frame_set_t frame_set, -                 int64_t *pos) -{ -    return(tng_frame_set_next_frame_set_file_pos_get(tng_data, frame_set, pos)); -}  /**   * @brief Get the file position of the previous frame set in the input file. @@ -1069,13 +788,6 @@ tng_function_status tng_frame_set_prev_frame_set_file_pos_get                  (const tng_trajectory_t tng_data,                   const tng_trajectory_frame_set_t frame_set,                   int64_t *pos); -tng_function_status tng_frame_set_prev_frame_set_file_pos_get_ -                (const tng_trajectory_t tng_data, -                 const tng_trajectory_frame_set_t frame_set, -                 int64_t *pos) -{ -    return(tng_frame_set_prev_frame_set_file_pos_get(tng_data, frame_set, pos)); -}  /**   * @brief Get the first and last frames of the frame set. @@ -1090,15 +802,6 @@ tng_function_status tng_frame_set_frame_range_get                   const tng_trajectory_frame_set_t frame_set,                   int64_t *first_frame,                   int64_t *last_frame); -tng_function_status tng_frame_set_frame_range_get_ -                (const tng_trajectory_t tng_data, -                 const tng_trajectory_frame_set_t frame_set, -                 int64_t *first_frame, -                 int64_t *last_frame) -{ -    return(tng_frame_set_frame_range_get(tng_data, frame_set, first_frame, -                                         last_frame)); -}  /**   * @brief Setup a molecule container. @@ -1109,11 +812,6 @@ tng_function_status tng_frame_set_frame_range_get_   */  tng_function_status tng_molecule_init(const tng_trajectory_t tng_data,                                        tng_molecule_t molecule); -tng_function_status tng_molecule_init_(const tng_trajectory_t tng_data, -                                       tng_molecule_t molecule) -{ -    return(tng_molecule_init(tng_data, molecule)); -}  /**   * @brief Clean up a molecule container. @@ -1126,11 +824,6 @@ tng_function_status tng_molecule_init_(const tng_trajectory_t tng_data,   */  tng_function_status tng_molecule_destroy(const tng_trajectory_t tng_data,                                           tng_molecule_t molecule); -tng_function_status tng_molecule_destroy_(const tng_trajectory_t tng_data, -                                          tng_molecule_t molecule) -{ -    return(tng_molecule_destroy(tng_data, molecule)); -}  /**   * @brief Add a molecule to the trajectory. @@ -1143,20 +836,6 @@ tng_function_status tng_molecule_destroy_(const tng_trajectory_t tng_data,  tng_function_status tng_molecule_add(tng_trajectory_t tng_data,                                       const char *name,                                       tng_molecule_t *molecule); -tng_function_status tng_molecule_add_(tng_trajectory_t tng_data, -                                     const char *name, -                                     tng_molecule_t *molecule, -                                     int name_len) -{ -    char *n = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(n, name, name_len); -    n[name_len] = 0; -    stat = tng_molecule_add(tng_data, n, molecule); -    free(n); -    return(stat); -}  /**   * @brief Set the name of a molecule. @@ -1169,20 +848,6 @@ tng_function_status tng_molecule_add_(tng_trajectory_t tng_data,  tng_function_status tng_molecule_name_set(tng_trajectory_t tng_data,                                            tng_molecule_t molecule,                                            const char *new_name); -tng_function_status tng_molecule_name_set_(tng_trajectory_t tng_data, -                                           tng_molecule_t molecule, -                                           const char *new_name, -                                           int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_molecule_name_set(tng_data, molecule, name); -    free(name); -    return(stat); -}  /**   * @brief Get the count of a molecule. @@ -1195,12 +860,6 @@ tng_function_status tng_molecule_name_set_(tng_trajectory_t tng_data,  tng_function_status tng_molecule_cnt_get(tng_trajectory_t tng_data,                                           tng_molecule_t molecule,                                           int64_t *cnt); -tng_function_status tng_molecule_cnt_get_(tng_trajectory_t tng_data, -                                          tng_molecule_t molecule, -                                          int64_t *cnt) -{ -    return(tng_molecule_cnt_get(tng_data, molecule, cnt)); -}  /**   * @brief Set the count of a molecule. @@ -1213,12 +872,6 @@ tng_function_status tng_molecule_cnt_get_(tng_trajectory_t tng_data,  tng_function_status tng_molecule_cnt_set(tng_trajectory_t tng_data,                                           tng_molecule_t molecule,                                           int64_t cnt); -tng_function_status tng_molecule_cnt_set_(tng_trajectory_t tng_data, -                                          tng_molecule_t molecule, -                                          int64_t *cnt) -{ -    return(tng_molecule_cnt_set(tng_data, molecule, *cnt)); -}  /**   * @brief Add a chain to a molecule. @@ -1233,21 +886,6 @@ tng_function_status tng_molecule_chain_add(tng_trajectory_t tng_data,                                             tng_molecule_t molecule,                                             const char *name,                                             tng_chain_t *chain); -tng_function_status tng_molecule_chain_add_(tng_trajectory_t tng_data, -                                            tng_molecule_t molecule, -                                            const char *name, -                                            tng_chain_t *chain, -                                            int name_len) -{ -    char *n = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(n, name, name_len); -    n[name_len] = 0; -    stat = tng_molecule_chain_add(tng_data, molecule, n, chain); -    free(n); -    return(stat); -}  /**   * @brief Set the name of a chain. @@ -1260,20 +898,6 @@ tng_function_status tng_molecule_chain_add_(tng_trajectory_t tng_data,  tng_function_status tng_chain_name_set(tng_trajectory_t tng_data,                                         tng_chain_t chain,                                         const char *new_name); -tng_function_status tng_chain_name_set_(tng_trajectory_t tng_data, -                                        tng_chain_t chain, -                                        const char *new_name, -                                        int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_chain_name_set(tng_data, chain, name); -    free(name); -    return(stat); -}  /**   * @brief Add a residue to a chain. @@ -1288,21 +912,6 @@ tng_function_status tng_chain_residue_add(tng_trajectory_t tng_data,                                            tng_chain_t chain,                                            const char *name,                                            tng_residue_t *residue); -tng_function_status tng_chain_residue_add_(tng_trajectory_t tng_data, -                                           tng_chain_t chain, -                                           const char *name, -                                           tng_residue_t *residue, -                                           int name_len) -{ -    char *n = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(n, name, name_len); -    n[name_len] = 0; -    stat = tng_chain_residue_add(tng_data, chain, n, residue); -    free(n); -    return(stat); -}  /**   * @brief Set the name of a residue. @@ -1315,20 +924,6 @@ tng_function_status tng_chain_residue_add_(tng_trajectory_t tng_data,  tng_function_status tng_residue_name_set(tng_trajectory_t tng_data,                                           tng_residue_t residue,                                           const char *new_name); -tng_function_status tng_residue_name_set_(tng_trajectory_t tng_data, -                                          tng_residue_t residue, -                                          const char *new_name, -                                          int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_residue_name_set(tng_data, residue, name); -    free(name); -    return(stat); -}  /**   * @brief Add an atom to a residue. @@ -1345,27 +940,6 @@ tng_function_status tng_residue_atom_add(tng_trajectory_t tng_data,                                           const char *atom_name,                                           const char *atom_type,                                           tng_atom_t *atom); -tng_function_status tng_residue_atom_add_(tng_trajectory_t tng_data, -                                          tng_residue_t residue, -                                          const char *atom_name, -                                          const char *atom_type, -                                          tng_atom_t *atom, -                                          int name_len, -                                          int type_len) -{ -    char *name = malloc(name_len + 1); -    char *type = malloc(type_len + 1); -    tng_function_status stat; - -    strncpy(name, atom_name, name_len); -    strncpy(type, atom_type, type_len); -    name[name_len] = 0; -    type[type_len] = 0; -    stat = tng_residue_atom_add(tng_data, residue, name, type, atom); -    free(name); -    free(type); -    return(stat);  -}  /**   * @brief Set the name of an atom. @@ -1378,20 +952,6 @@ tng_function_status tng_residue_atom_add_(tng_trajectory_t tng_data,  tng_function_status tng_atom_name_set(tng_trajectory_t tng_data,                                        tng_atom_t atom,                                        const char *new_name); -tng_function_status tng_atom_name_set_(tng_trajectory_t tng_data, -                                       tng_atom_t atom, -                                       const char *new_name, -                                       int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, new_name, name_len); -    name[name_len] = 0; -    stat = tng_atom_name_set(tng_data, atom, name); -    free(name); -    return(stat); -}  /**   * @brief Set the atom type of an atom. @@ -1404,20 +964,6 @@ tng_function_status tng_atom_name_set_(tng_trajectory_t tng_data,  tng_function_status tng_atom_type_set(tng_trajectory_t tng_data,                                        tng_atom_t atom,                                        const char *new_type); -tng_function_status tng_atom_type_set_(tng_trajectory_t tng_data, -                                       tng_atom_t atom, -                                       const char *new_type, -                                       int type_len) -{ -    char *type = malloc(type_len + 1); -    tng_function_status stat; - -    strncpy(type, new_type, type_len); -    type[type_len] = 0; -    stat = tng_atom_type_set(tng_data, atom, type); -    free(type); -    return(stat); -}  /**   * @brief Get the molecume name of real particle number (number in mol system). @@ -1434,14 +980,6 @@ tng_function_status tng_molecule_name_of_particle_nr_get                   const int64_t nr,                   char *name,                   int max_len); -tng_function_status tng_molecule_name_of_particle_nr_get_ -                (const tng_trajectory_t tng_data, -                 const int64_t nr, -                 char *name, -                 int max_len) -{ -    return(tng_molecule_name_of_particle_nr_get(tng_data, nr, name, max_len)); -}  /**   * @brief Get the chain name of real particle number (number in mol system). @@ -1458,14 +996,6 @@ tng_function_status tng_chain_name_of_particle_nr_get                   const int64_t nr,                   char *name,                   int max_len); -tng_function_status tng_chain_name_of_particle_nr_get_ -                (const tng_trajectory_t tng_data, -                 const int64_t nr, -                 char *name, -                 int max_len) -{ -    return(tng_chain_name_of_particle_nr_get(tng_data, nr, name, max_len)); -}  /**   * @brief Get the residue name of real particle number (number in mol system). @@ -1482,14 +1012,6 @@ tng_function_status tng_residue_name_of_particle_nr_get                   const int64_t nr,                   char *name,                   int max_len); -tng_function_status tng_residue_name_of_particle_nr_get_ -                (const tng_trajectory_t tng_data, -                 const int64_t nr, -                 char *name, -                 int max_len) -{ -    return(tng_residue_name_of_particle_nr_get(tng_data, nr, name, max_len)); -}  /**   * @brief Get the atom name of real particle number (number in mol system). @@ -1506,14 +1028,6 @@ tng_function_status tng_atom_name_of_particle_nr_get                   const int64_t nr,                   char *name,                   int max_len); -tng_function_status tng_atom_name_of_particle_nr_get_ -                (const tng_trajectory_t tng_data, -                 const int64_t nr, -                 char *name, -                 int max_len) -{ -    return(tng_atom_name_of_particle_nr_get(tng_data, nr, name, max_len)); -}  /**   * @brief Get the atom type of real particle number (number in mol system). @@ -1530,14 +1044,6 @@ tng_function_status tng_atom_type_of_particle_nr_get                   const int64_t nr,                   char *type,                   int max_len); -tng_function_status tng_atom_type_of_particle_nr_get_ -                (const tng_trajectory_t tng_data, -                 const int64_t nr, -                 char *type, -                 int max_len) -{ -    return(tng_atom_type_of_particle_nr_get(tng_data, nr, type, max_len)); -}  /**   * @brief Add a particle mapping table. @@ -1563,15 +1069,6 @@ tng_function_status tng_particle_mapping_add                   const int64_t first_particle_number,                   const int64_t n_particles,                   const int64_t *mapping_table); -tng_function_status tng_particle_mapping_add_ -                (tng_trajectory_t tng_data, -                 const int64_t *first_particle_number, -                 const int64_t *n_particles, -                 const int64_t *mapping_table) -{ -    return(tng_particle_mapping_add(tng_data, *first_particle_number, -                                    *n_particles, mapping_table)); -}  /**   * @brief Read the header blocks from the input_file of tng_data. @@ -1589,11 +1086,6 @@ tng_function_status tng_particle_mapping_add_   */  tng_function_status tng_file_headers_read(tng_trajectory_t tng_data,                                            const tng_hash_mode hash_mode); -tng_function_status tng_file_headers_read_(tng_trajectory_t tng_data, -                                           const tng_hash_mode *hash_mode) -{ -    return(tng_file_headers_read(tng_data, *hash_mode)); -}  /**   * @brief Write the header blocks to the output_file of tng_data. @@ -1610,12 +1102,6 @@ tng_function_status tng_file_headers_read_(tng_trajectory_t tng_data,   */  tng_function_status tng_file_headers_write(tng_trajectory_t tng_data,                                             const tng_hash_mode hash_mode); -tng_function_status tng_file_headers_write_(tng_trajectory_t tng_data, -                                            const tng_hash_mode *hash_mode) -{ -    return(tng_file_headers_write(tng_data, *hash_mode)); -} -  /**   * @brief Read one (the next) block (of any kind) from the input_file of tng_data. @@ -1636,13 +1122,6 @@ tng_function_status tng_file_headers_write_(tng_trajectory_t tng_data,  tng_function_status tng_block_read_next(tng_trajectory_t tng_data,                                          tng_gen_block_t block_data,                                          const tng_hash_mode hash_mode); -tng_function_status tng_block_read_next_(tng_trajectory_t tng_data, -                                         tng_gen_block_t block_data, -                                         const tng_hash_mode *hash_mode) -{ -    return(tng_block_read_next(tng_data, block_data, *hash_mode)); -} -  /**   * @brief Read one (the next) frame set, including mapping and related data blocks @@ -1659,11 +1138,6 @@ tng_function_status tng_block_read_next_(tng_trajectory_t tng_data,   */  tng_function_status tng_frame_set_read_next(tng_trajectory_t tng_data,                                              const tng_hash_mode hash_mode); -tng_function_status tng_frame_set_read_next_(tng_trajectory_t tng_data, -                                             const tng_hash_mode *hash_mode) -{ -    return(tng_frame_set_read_next(tng_data, *hash_mode)); -}  /**   * @brief Write one frame set, including mapping and related data blocks @@ -1679,11 +1153,6 @@ tng_function_status tng_frame_set_read_next_(tng_trajectory_t tng_data,   */  tng_function_status tng_frame_set_write(tng_trajectory_t tng_data,                                          const tng_hash_mode hash_mode); -tng_function_status tng_frame_set_write_(tng_trajectory_t tng_data, -                                         const tng_hash_mode *hash_mode) -{ -    return(tng_frame_set_write(tng_data, *hash_mode)); -}  /**   * @brief Create and initialise a frame set. @@ -1697,12 +1166,6 @@ tng_function_status tng_frame_set_write_(tng_trajectory_t tng_data,  tng_function_status tng_frame_set_new(tng_trajectory_t tng_data,                                        const int64_t first_frame,                                        const int64_t n_frames); -tng_function_status tng_frame_set_new_(tng_trajectory_t tng_data, -                                       const int64_t *first_frame, -                                       const int64_t *n_frames) -{ -    return(tng_frame_set_new(tng_data, *first_frame, *n_frames)); -}  /**   * @brief Add a non-particle dependent data block. @@ -1735,30 +1198,6 @@ tng_function_status tng_data_block_add(tng_trajectory_t tng_data,                                         const int64_t stride_length,                                         const int64_t codec_id,                                         void *new_data); -tng_function_status 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, -                                        int64_t *n_frames, -                                        const int64_t *n_values_per_frame, -                                        const int64_t *stride_length, -                                        const int64_t *codec_id, -                                        void *new_data, -                                        int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, block_name, name_len); -    name[name_len] = 0; -    stat = tng_data_block_add(tng_data, *id, name, *datatype, *block_type_flag, -                              *n_frames, *n_values_per_frame, *stride_length, -                              *codec_id, new_data); -    free(name); -    return(stat); -} -                                         /**   * @brief Add a particle dependent data block. @@ -1796,34 +1235,6 @@ tng_function_status tng_particle_data_block_add(tng_trajectory_t tng_data,                                          const int64_t n_particles,                                          const int64_t codec_id,                                          void *new_data); -tng_function_status 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, -                 int64_t *n_frames, -                 const int64_t *n_values_per_frame, -                 const int64_t *stride_length, -                 const int64_t *first_particle_number, -                 const int64_t *n_particles, -                 const int64_t *codec_id, -                 void *new_data, -                 int name_len) -{ -    char *name = malloc(name_len + 1); -    tng_function_status stat; - -    strncpy(name, block_name, name_len); -    name[name_len] = 0; -    stat = tng_particle_data_block_add(tng_data, *id, name, *datatype, -                                       *block_type_flag, *n_frames, -                                       *n_values_per_frame, *stride_length, -                                       *first_particle_number, *n_particles, -                                       *codec_id, new_data); -    free(name); -    return(stat); -}  /**   * @brief Write data of one trajectory frame to the output_file of tng_data. @@ -1845,15 +1256,6 @@ tng_function_status tng_frame_data_write(tng_trajectory_t tng_data,                                           const int64_t block_id,                                           const void *data,                                           const tng_hash_mode hash_mode); -tng_function_status tng_frame_data_write_(tng_trajectory_t tng_data, -                                          const int64_t *frame_nr, -                                          const int64_t *block_id, -                                          const void *data, -                                          const tng_hash_mode *hash_mode) -{ -    return(tng_frame_data_write(tng_data, *frame_nr, *block_id, data, -                                *hash_mode)); -}  /**   * @brief Write particle data of one trajectory frame to the output_file of @@ -1881,18 +1283,6 @@ tng_function_status tng_frame_particle_data_write(tng_trajectory_t tng_data,                                                    const int64_t val_n_particles,                                                    const void *data,                                                    const tng_hash_mode hash_mode); -tng_function_status tng_frame_particle_data_write_(tng_trajectory_t tng_data, -                                                   const int64_t *frame_nr, -                                                   const int64_t *block_id, -                                                   const int64_t *val_first_particle, -                                                   const int64_t *val_n_particles, -                                                   const void *data, -                                                   const tng_hash_mode *hash_mode) -{ -    return(tng_frame_particle_data_write(tng_data, *frame_nr, *block_id, -                                         *val_first_particle, *val_n_particles, -                                         data, *hash_mode)); -}  /**   * @brief Free data is an array of values (2D). @@ -1908,15 +1298,6 @@ tng_function_status tng_data_values_free(const tng_trajectory_t tng_data,                                           const int64_t n_frames,                                           const int64_t n_values_per_frame,                                           const tng_data_type type); -tng_function_status tng_data_values_free_(const tng_trajectory_t tng_data, -                                          union data_values **values, -                                          const int64_t *n_frames, -                                          const int64_t *n_values_per_frame, -                                          const tng_data_type *type) -{ -    return(tng_data_values_free(tng_data, values, *n_frames, -                                *n_values_per_frame, *type)); -}  /**   * @brief Free data is an array of values (3D). @@ -1934,16 +1315,6 @@ tng_function_status tng_particle_data_values_free(const tng_trajectory_t tng_dat                                                    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) -{ -    return(tng_particle_data_values_free(tng_data, values, *n_frames, *n_particles, -                                         *n_values_per_frame, *type)); -}  /**   * @brief Retrieve non-particle data, from the last read frame set. @@ -1970,16 +1341,6 @@ tng_function_status tng_data_get(tng_trajectory_t tng_data,                                   int64_t *n_frames,                                   int64_t *n_values_per_frame,                                   tng_data_type *type); -tng_function_status tng_data_get_(tng_trajectory_t tng_data, -                                  const int64_t *block_id, -                                  union data_values ***values, -                                  int64_t *n_frames, -                                  int64_t *n_values_per_frame, -                                  tng_data_type *type) -{ -    return(tng_data_get(tng_data, *block_id, values, n_frames, -                        n_values_per_frame, type)); -}  /**   * @brief Read and retrieve non-particle data, in a specific interval. @@ -2011,19 +1372,6 @@ tng_function_status tng_data_interval_get(tng_trajectory_t tng_data,                                            union data_values ***values,                                            int64_t *n_values_per_frame,                                            tng_data_type *type); -tng_function_status tng_data_interval_get_(tng_trajectory_t tng_data, -                                           const int64_t *block_id, -                                           const int64_t *start_frame_nr, -                                           const int64_t *end_frame_nr, -                                           const tng_hash_mode *hash_mode, -                                           union data_values ***values, -                                           int64_t *n_values_per_frame, -                                           tng_data_type *type) -{ -    return(tng_data_interval_get(tng_data, *block_id, *start_frame_nr, -                                 *end_frame_nr, *hash_mode, values, -                                 n_values_per_frame, type)); -}  /**   * @brief Retrieve particle data, from the last read frame set. @@ -2056,18 +1404,6 @@ tng_function_status tng_particle_data_get(tng_trajectory_t tng_data,                                            int64_t *n_particles,                                            int64_t *n_values_per_frame,                                            tng_data_type *type); -tng_function_status tng_particle_data_get_(tng_trajectory_t tng_data, -                                           const int64_t *block_id, -                                           union data_values ****values, -                                           int64_t *n_frames, -                                           int64_t *n_particles, -                                           int64_t *n_values_per_frame, -                                           tng_data_type *type) -{ -    return(tng_particle_data_get(tng_data, *block_id, values, n_frames, -                                 n_particles, n_values_per_frame, type)); -} -  /**   * @brief Read and retrieve particle data, in a specific interval. @@ -2105,21 +1441,6 @@ tng_function_status tng_particle_data_interval_get(tng_trajectory_t tng_data,                                                     int64_t *n_particles,                                                     int64_t *n_values_per_frame,                                                     tng_data_type *type); -tng_function_status tng_particle_data_interval_get_(tng_trajectory_t tng_data, -                                                    const int64_t *block_id, -                                                    const int64_t *start_frame_nr, -                                                    const int64_t *end_frame_nr, -                                                    const tng_hash_mode *hash_mode, -                                                    union data_values ****values, -                                                    int64_t *n_particles, -                                                    int64_t *n_values_per_frame, -                                                    tng_data_type *type) -{ -    return(tng_particle_data_interval_get(tng_data, *block_id, *start_frame_nr, -                                          *end_frame_nr, *hash_mode, values, -                                          n_particles, n_values_per_frame, -                                          type)); -}  /** @brief Get the date and time of initial file creation in ISO format (string).   *  @param tng_data is a trajectory data container. @@ -2129,11 +1450,6 @@ tng_function_status tng_particle_data_interval_get_(tng_trajectory_t tng_data,   */  tng_function_status tng_time_get_str(const tng_trajectory_t tng_data,                                       char *time); -tng_function_status tng_time_get_str_(const tng_trajectory_t tng_data, -                                      char *time, int64_t str_len) -{ -    return(tng_time_get_str(tng_data, time)); -}  #ifdef __cplusplus | 
