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tng_function_status DECLSPECDLLEXPORT | tng_version_major (const tng_trajectory_t tng_data, int *version) |
| Get the major version of the TNG library. More...
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tng_function_status DECLSPECDLLEXPORT | tng_version_minor (const tng_trajectory_t tng_data, int *version) |
| Get the minor version of the TNG library. More...
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tng_function_status DECLSPECDLLEXPORT | tng_version_patchlevel (const tng_trajectory_t tng_data, int *patch_level) |
| Get the patch level of the TNG library. More...
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tng_function_status DECLSPECDLLEXPORT | tng_version (const tng_trajectory_t tng_data, char *version, const int max_len) |
| Get the full version string of the TNG library. More...
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tng_function_status DECLSPECDLLEXPORT | tng_trajectory_init (tng_trajectory_t *tng_data_p) |
| Setup a trajectory data container. More...
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tng_function_status DECLSPECDLLEXPORT | tng_trajectory_destroy (tng_trajectory_t *tng_data_p) |
| Clean up a trajectory data container. More...
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tng_function_status DECLSPECDLLEXPORT | tng_input_file_get (const tng_trajectory_t tng_data, char *file_name, const int max_len) |
| Get the name of the input file. More...
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tng_function_status DECLSPECDLLEXPORT | tng_input_file_set (const tng_trajectory_t tng_data, const char *file_name) |
| Set the name of the input file. More...
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tng_function_status DECLSPECDLLEXPORT | tng_output_append_file_set (const tng_trajectory_t tng_data, const char *file_name) |
| Set the name of the output file for appending. The output file will not be overwritten. More...
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tng_function_status DECLSPECDLLEXPORT | tng_output_file_endianness_get (const tng_trajectory_t tng_data, tng_file_endianness *endianness) |
| Get the endianness of the output file. More...
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tng_function_status DECLSPECDLLEXPORT | tng_output_file_endianness_set (const tng_trajectory_t tng_data, const tng_file_endianness endianness) |
| Set the endianness of the output file. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_program_name_get (const tng_trajectory_t tng_data, char *name, const int max_len) |
| Get the name of the program used when creating the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_program_name_set (const tng_trajectory_t tng_data, const char *new_name) |
| Set the name of the program used when creating the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_last_program_name_get (const tng_trajectory_t tng_data, char *name, const int max_len) |
| Get the name of the program used when last modifying the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_last_program_name_set (const tng_trajectory_t tng_data, const char *new_name) |
| Set the name of the program used when last modifying the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_user_name_get (const tng_trajectory_t tng_data, char *name, const int max_len) |
| Get the name of the user who created the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_user_name_set (const tng_trajectory_t tng_data, const char *new_name) |
| Set the name of the user who created the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_last_user_name_get (const tng_trajectory_t tng_data, char *name, const int max_len) |
| Get the name of the user who last modified the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_last_user_name_set (const tng_trajectory_t tng_data, const char *new_name) |
| Set the name of the user who last modified the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_computer_name_get (const tng_trajectory_t tng_data, char *name, const int max_len) |
| Get the name of the computer used when creating the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_computer_name_set (const tng_trajectory_t tng_data, const char *new_name) |
| Set the name of the computer used when creating the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_last_computer_name_get (const tng_trajectory_t tng_data, char *name, const int max_len) |
| Get the name of the computer used when last modifying the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_last_computer_name_set (const tng_trajectory_t tng_data, const char *new_name) |
| Set the name of the computer used when last modifying the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_signature_get (const tng_trajectory_t tng_data, char *signature, const int max_len) |
| Get the pgp_signature of the user creating the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_signature_set (const tng_trajectory_t tng_data, const char *signature) |
| Set the pgp_signature of the user creating the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_last_signature_get (const tng_trajectory_t tng_data, char *signature, const int max_len) |
| Get the pgp_signature of the user last modifying the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_last_signature_set (const tng_trajectory_t tng_data, const char *signature) |
| Set the pgp_signature of the user last modifying the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_forcefield_name_get (const tng_trajectory_t tng_data, char *name, const int max_len) |
| Get the name of the forcefield used in the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_forcefield_name_set (const tng_trajectory_t tng_data, const char *new_name) |
| Set the name of the forcefield used in the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_long_stride_length_get (const tng_trajectory_t tng_data, int64_t *len) |
| Get the long stride length of the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_long_stride_length_set (const tng_trajectory_t tng_data, const int64_t len) |
| Set the long stride length of the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_time_per_frame_get (const tng_trajectory_t tng_data, double *time) |
| Get the current time per frame of the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_time_per_frame_set (const tng_trajectory_t tng_data, const double time) |
| Set the time per frame of the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_input_file_len_get (const tng_trajectory_t tng_data, int64_t *len) |
| Get the length of the input file. More...
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tng_function_status DECLSPECDLLEXPORT | tng_num_frames_get (const tng_trajectory_t tng_data, int64_t *n) |
| Get the number of frames in the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_compression_precision_get (const tng_trajectory_t tng_data, double *precision) |
| Get the precision of lossy compression. More...
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tng_function_status DECLSPECDLLEXPORT | tng_compression_precision_set (const tng_trajectory_t tng_data, const double precision) |
| Set the precision of lossy compression. More...
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tng_function_status DECLSPECDLLEXPORT | tng_implicit_num_particles_set (const tng_trajectory_t tng_data, const int64_t n) |
| Set the number of particles, in the case no molecular system is used. More...
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tng_function_status DECLSPECDLLEXPORT | tng_num_particles_get (const tng_trajectory_t tng_data, int64_t *n) |
| Get the current number of particles. More...
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tng_function_status DECLSPECDLLEXPORT | tng_num_particles_variable_get (const tng_trajectory_t tng_data, char *variable) |
| Get if the number of particle can be varied during the simulation. More...
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tng_function_status DECLSPECDLLEXPORT | tng_num_molecule_types_get (const tng_trajectory_t tng_data, int64_t *n) |
| Get the number of molecule types (length of tng_data->molecules). More...
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tng_function_status DECLSPECDLLEXPORT | tng_num_molecules_get (const tng_trajectory_t tng_data, int64_t *n) |
| Get the current total number of molecules. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_cnt_list_get (const tng_trajectory_t tng_data, int64_t **mol_cnt_list) |
| Get the list of the count of each molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_distance_unit_exponential_get (const tng_trajectory_t tng_data, int64_t *exp) |
| Get the exponent used for distances in the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_distance_unit_exponential_set (const tng_trajectory_t tng_data, const int64_t exp) |
| Set the exponent used for distances in the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_num_frames_per_frame_set_get (const tng_trajectory_t tng_data, int64_t *n) |
| Get the number of frames per frame set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_num_frames_per_frame_set_set (const tng_trajectory_t tng_data, const int64_t n) |
| Set the number of frames per frame set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_num_frame_sets_get (const tng_trajectory_t tng_data, int64_t *n) |
| Get the number of frame sets. More...
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tng_function_status DECLSPECDLLEXPORT | tng_current_frame_set_get (const tng_trajectory_t tng_data, tng_trajectory_frame_set_t *frame_set_p) |
| Get the current trajectory frame set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_nr_find (const tng_trajectory_t tng_data, const int64_t nr) |
| Find the requested frame set number. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_of_frame_find (const tng_trajectory_t tng_data, const int64_t frame) |
| Find the frame set containing a specific frame. More...
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tng_function_status DECLSPECDLLEXPORT | 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) |
| Get the file position of the next frame set in the input file. More...
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tng_function_status DECLSPECDLLEXPORT | 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) |
| Get the file position of the previous frame set in the input file. More...
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tng_function_status DECLSPECDLLEXPORT | 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) |
| Get the first and last frames of the frame set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_alloc (const tng_trajectory_t tng_data, tng_molecule_t *molecule_p) |
| Allocate memory for and setup a molecule container. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_free (const tng_trajectory_t tng_data, tng_molecule_t *molecule_p) |
| Clean up a molecule container and free its allocated memory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_init (const tng_trajectory_t tng_data, const tng_molecule_t molecule) |
| Setup a molecule container. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_destroy (const tng_trajectory_t tng_data, const tng_molecule_t molecule) |
| Clean up a molecule container. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_add (const tng_trajectory_t tng_data, const char *name, tng_molecule_t *molecule) |
| Add a molecule to the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_w_id_add (const tng_trajectory_t tng_data, const char *name, const int64_t id, tng_molecule_t *molecule) |
| Add a molecule with a specific ID to the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_existing_add (const tng_trajectory_t tng_data, tng_molecule_t *molecule) |
| Add an existing molecule (from a molecule container) to the trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_name_get (const tng_trajectory_t tng_data, const tng_molecule_t molecule, char *name, const int max_len) |
| Get the name of a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_name_set (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const char *new_name) |
| Set the name of a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_cnt_get (const tng_trajectory_t tng_data, const tng_molecule_t molecule, int64_t *cnt) |
| Get the count of a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_cnt_set (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const int64_t cnt) |
| Set the count of a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_find (const tng_trajectory_t tng_data, const char *name, const int64_t id, tng_molecule_t *molecule) |
| Find a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_of_index_get (const tng_trajectory_t tng_data, const int64_t index, tng_molecule_t *molecule) |
| Retrieve the molecule with specified index in the list of molecules. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_system_copy (const tng_trajectory_t tng_data_src, const tng_trajectory_t tng_data_dest) |
| Copy all molecules and the molecule counts from one TNG trajectory to another. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_num_chains_get (const tng_trajectory_t tng_data, const tng_molecule_t molecule, int64_t *n) |
| Get the number of chains in a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_chain_of_index_get (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const int64_t index, tng_chain_t *chain) |
| Retrieve the chain of a molecule with specified index in the list of chains. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_num_residues_get (const tng_trajectory_t tng_data, const tng_molecule_t molecule, int64_t *n) |
| Get the number of residues in a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_residue_of_index_get (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const int64_t index, tng_residue_t *residue) |
| Retrieve the residue of a molecule with specified index in the list of chains. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_num_atoms_get (const tng_trajectory_t tng_data, const tng_molecule_t molecule, int64_t *n) |
| Get the number of atoms in a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_atom_of_index_get (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const int64_t index, tng_atom_t *atom) |
| Retrieve the atom of a molecule with specified index in the list of atoms. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_chain_find (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const char *name, const int64_t id, tng_chain_t *chain) |
| Find a chain in a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_chain_add (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const char *name, tng_chain_t *chain) |
| Add a chain to a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_chain_w_id_add (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const char *name, const int64_t id, tng_chain_t *chain) |
| Add a chain with a specific id to a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_bond_add (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const int64_t from_atom_id, const int64_t to_atom_id, tng_bond_t *bond) |
| Add a bond between two atoms to a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_atom_find (const tng_trajectory_t tng_data, const tng_molecule_t molecule, const char *name, const int64_t id, tng_atom_t *atom) |
| Find an atom in a molecule. More...
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tng_function_status DECLSPECDLLEXPORT | tng_chain_name_get (const tng_trajectory_t tng_data, const tng_chain_t chain, char *name, const int max_len) |
| Get the name of a chain. More...
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tng_function_status DECLSPECDLLEXPORT | tng_chain_name_set (const tng_trajectory_t tng_data, const tng_chain_t chain, const char *new_name) |
| Set the name of a chain. More...
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tng_function_status DECLSPECDLLEXPORT | tng_chain_num_residues_get (const tng_trajectory_t tng_data, const tng_chain_t chain, int64_t *n) |
| Get the number of residues in a molecule chain. More...
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tng_function_status DECLSPECDLLEXPORT | tng_chain_residue_of_index_get (const tng_trajectory_t tng_data, const tng_chain_t chain, const int64_t index, tng_residue_t *residue) |
| Retrieve the residue of a chain with specified index in the list of residues. More...
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tng_function_status DECLSPECDLLEXPORT | tng_chain_residue_find (const tng_trajectory_t tng_data, const tng_chain_t chain, const char *name, const int64_t id, tng_residue_t *residue) |
| Find a residue in a chain. More...
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tng_function_status DECLSPECDLLEXPORT | tng_chain_residue_add (const tng_trajectory_t tng_data, const tng_chain_t chain, const char *name, tng_residue_t *residue) |
| Add a residue to a chain. More...
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tng_function_status DECLSPECDLLEXPORT | tng_chain_residue_w_id_add (const tng_trajectory_t tng_data, const tng_chain_t chain, const char *name, const int64_t id, tng_residue_t *residue) |
| Add a residue with a specific ID to a chain. More...
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tng_function_status DECLSPECDLLEXPORT | tng_residue_name_get (const tng_trajectory_t tng_data, const tng_residue_t residue, char *name, const int max_len) |
| Get the name of a residue. More...
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tng_function_status DECLSPECDLLEXPORT | tng_residue_name_set (const tng_trajectory_t tng_data, const tng_residue_t residue, const char *new_name) |
| Set the name of a residue. More...
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tng_function_status DECLSPECDLLEXPORT | tng_residue_num_atoms_get (const tng_trajectory_t tng_data, const tng_residue_t residue, int64_t *n) |
| Get the number of atoms in a residue. More...
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tng_function_status DECLSPECDLLEXPORT | tng_residue_atom_of_index_get (const tng_trajectory_t tng_data, const tng_residue_t residue, const int64_t index, tng_atom_t *atom) |
| Retrieve the atom of a residue with specified index in the list of atoms. More...
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tng_function_status DECLSPECDLLEXPORT | tng_residue_atom_add (const tng_trajectory_t tng_data, const tng_residue_t residue, const char *atom_name, const char *atom_type, tng_atom_t *atom) |
| Add an atom to a residue. More...
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tng_function_status DECLSPECDLLEXPORT | tng_residue_atom_w_id_add (const tng_trajectory_t tng_data, const tng_residue_t residue, const char *atom_name, const char *atom_type, const int64_t id, tng_atom_t *atom) |
| Add an atom with a specific ID to a residue. More...
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tng_function_status DECLSPECDLLEXPORT | tng_atom_residue_get (const tng_trajectory_t tng_data, const tng_atom_t atom, tng_residue_t *residue) |
| Get the residue of an atom. More...
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tng_function_status DECLSPECDLLEXPORT | tng_atom_name_get (const tng_trajectory_t tng_data, const tng_atom_t atom, char *name, const int max_len) |
| Get the name of an atom. More...
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tng_function_status DECLSPECDLLEXPORT | tng_atom_name_set (const tng_trajectory_t tng_data, const tng_atom_t atom, const char *new_name) |
| Set the name of an atom. More...
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tng_function_status DECLSPECDLLEXPORT | tng_atom_type_get (const tng_trajectory_t tng_data, const tng_atom_t atom, char *type, const int max_len) |
| Get the type of an atom. More...
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tng_function_status DECLSPECDLLEXPORT | tng_atom_type_set (const tng_trajectory_t tng_data, const tng_atom_t atom, const char *new_type) |
| Set the atom type of an atom. More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_name_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *name, const int max_len) |
| Get the molecule name of real particle number (number in mol system). More...
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tng_function_status DECLSPECDLLEXPORT | tng_molecule_id_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, int64_t *id) |
| Get the molecule id of real particle number (number in mol system). More...
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tng_function_status DECLSPECDLLEXPORT | tng_molsystem_bonds_get (const tng_trajectory_t tng_data, int64_t *n_bonds, int64_t **from_atoms, int64_t **to_atoms) |
| Get the bonds of the current molecular system. More...
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tng_function_status DECLSPECDLLEXPORT | tng_chain_name_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *name, const int max_len) |
| Get the chain name of real particle number (number in mol system). More...
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tng_function_status DECLSPECDLLEXPORT | tng_residue_name_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *name, const int max_len) |
| Get the residue name of real particle number (number in mol system). More...
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tng_function_status DECLSPECDLLEXPORT | tng_residue_id_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, int64_t *id) |
| Get the residue id (local to molecule) of real particle number (number in mol system). More...
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tng_function_status DECLSPECDLLEXPORT | tng_global_residue_id_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, int64_t *id) |
| Get the residue id (based on other molecules and molecule counts) of real particle number (number in mol system). More...
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tng_function_status DECLSPECDLLEXPORT | tng_atom_name_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *name, const int max_len) |
| Get the atom name of real particle number (number in mol system). More...
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tng_function_status DECLSPECDLLEXPORT | tng_atom_type_of_particle_nr_get (const tng_trajectory_t tng_data, const int64_t nr, char *type, const int max_len) |
| Get the atom type of real particle number (number in mol system). More...
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tng_function_status DECLSPECDLLEXPORT | tng_particle_mapping_add (const tng_trajectory_t tng_data, const int64_t num_first_particle, const int64_t n_particles, const int64_t *mapping_table) |
| Add a particle mapping table. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_particle_mapping_free (const tng_trajectory_t tng_data) |
| Remove all particle mappings (in memory) from the current frame set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_file_headers_read (const tng_trajectory_t tng_data, const char hash_mode) |
| Read the header blocks from the input_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_file_headers_write (const tng_trajectory_t tng_data, const char hash_mode) |
| Write the header blocks to the output_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_block_read_next (const tng_trajectory_t tng_data, const tng_gen_block_t block_data, const char hash_mode) |
| Read one (the next) block (of any kind) from the input_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_read (const tng_trajectory_t tng_data, const char hash_mode) |
| Read one frame set, including all particle mapping blocks and data blocks, starting from the current file position. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_read_current_only_data_from_block_id (const tng_trajectory_t tng_data, const char hash_mode, const int64_t block_id) |
| Read data from the current frame set from the input_file. Only read particle mapping and data blocks matching the specified block_id. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_read_next (const tng_trajectory_t tng_data, const char hash_mode) |
| Read one (the next) frame set, including particle mapping and related data blocks from the input_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_read_next_only_data_from_block_id (const tng_trajectory_t tng_data, const char hash_mode, const int64_t block_id) |
| Read one (the next) frame set, including particle mapping and data blocks with a specific block id from the input_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_write (const tng_trajectory_t tng_data, const char hash_mode) |
| Write one frame set, including mapping and related data blocks to the output_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_premature_write (const tng_trajectory_t tng_data, const char hash_mode) |
| Write one frame set even if it does not have as many frames as expected. The function also writes mapping and related data blocks to the output_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_new (const tng_trajectory_t tng_data, const int64_t first_frame, const int64_t n_frames) |
| Create and initialise a frame set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_with_time_new (const tng_trajectory_t tng_data, const int64_t first_frame, const int64_t n_frames, const double first_frame_time) |
| Create and initialise a frame set with the time of the first frame specified. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_set_first_frame_time_set (const tng_trajectory_t tng_data, const double first_frame_time) |
| Set the time stamp of the first frame of the current frame set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_first_frame_nr_of_next_frame_set_get (const tng_trajectory_t tng_data, int64_t *frame) |
| Read the number of the first frame of the next frame set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_data_block_add (const tng_trajectory_t tng_data, const int64_t id, const char *block_name, const char datatype, const char block_type_flag, int64_t n_frames, const int64_t n_values_per_frame, int64_t stride_length, const int64_t codec_id, void *new_data) |
| Add a non-particle dependent data block. More...
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tng_function_status DECLSPECDLLEXPORT | tng_particle_data_block_add (const tng_trajectory_t tng_data, const int64_t id, const char *block_name, const char datatype, const char block_type_flag, int64_t n_frames, const int64_t n_values_per_frame, int64_t stride_length, const int64_t num_first_particle, const int64_t n_particles, const int64_t codec_id, void *new_data) |
| Add a particle dependent data block. More...
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tng_function_status DECLSPECDLLEXPORT | tng_data_block_name_get (const tng_trajectory_t tng_data, const int64_t block_id, char *name, const int max_len) |
| Get the name of a data block of a specific ID. More...
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tng_function_status DECLSPECDLLEXPORT | tng_data_block_dependency_get (const tng_trajectory_t tng_data, const int64_t block_id, int *block_dependency) |
| Get the dependency of a data block of a specific ID. More...
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tng_function_status DECLSPECDLLEXPORT | tng_data_block_num_values_per_frame_get (const tng_trajectory_t tng_data, const int64_t block_id, int64_t *n_values_per_frame) |
| Get the number of values per frame of a data block of a specific ID. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_data_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const int64_t block_id, const void *values, const char hash_mode) |
| Write data of one trajectory frame to the output_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_frame_particle_data_write (const 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 *values, const char hash_mode) |
| Write particle data of one trajectory frame to the output_file of tng_data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_data_interval_get (const tng_trajectory_t tng_data, const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, const char hash_mode, union data_values ***values, int64_t *n_values_per_frame, char *type) |
| Read and retrieve non-particle data, in a specific interval. Obsolete! More...
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tng_function_status DECLSPECDLLEXPORT | tng_particle_data_get (const 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, char *type) |
| Retrieve particle data, from the last read frame set. Obsolete! More...
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tng_function_status DECLSPECDLLEXPORT | tng_particle_data_interval_get (const tng_trajectory_t tng_data, const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, const char hash_mode, union data_values ****values, int64_t *n_particles, int64_t *n_values_per_frame, char *type) |
| Read and retrieve particle data, in a specific interval. Obsolete! More...
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tng_function_status DECLSPECDLLEXPORT | tng_particle_data_vector_interval_get (const tng_trajectory_t tng_data, const int64_t block_id, const int64_t start_frame_nr, const int64_t end_frame_nr, const char hash_mode, void **values, int64_t *n_particles, int64_t *stride_length, int64_t *n_values_per_frame, char *type) |
| Read and retrieve a vector (1D array) particle data, in a specific interval. More...
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tng_function_status DECLSPECDLLEXPORT | tng_data_get_stride_length (const tng_trajectory_t tng_data, const int64_t block_id, int64_t frame, int64_t *stride_length) |
| Get the stride length of a specific data (particle dependency does not matter) block, either in the current frame set or of a specific frame. More...
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tng_function_status DECLSPECDLLEXPORT | tng_time_get_str (const tng_trajectory_t tng_data, char *time) |
| Get the date and time of initial file creation in ISO format (string). More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_trajectory_open (const char *filename, const char mode, tng_trajectory_t *tng_data_p) |
| High-level function for opening and initializing a TNG trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_trajectory_close (tng_trajectory_t *tng_data_p) |
| High-level function for closing a TNG trajectory. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_time_of_frame_get (const tng_trajectory_t tng_data, const int64_t frame_nr, double *time) |
| High-level function for getting the time (in seconds) of a frame. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_read (const tng_trajectory_t tng_data, float **positions, int64_t *stride_length) |
| High-level function for reading the positions of all particles from all frames. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_read (const tng_trajectory_t tng_data, float **velocities, int64_t *stride_length) |
| High-level function for reading the velocities of all particles from all frames. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_force_read (const tng_trajectory_t tng_data, float **forces, int64_t *stride_length) |
| High-level function for reading the forces of all particles from all frames. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_box_shape_read (const tng_trajectory_t tng_data, float **box_shape, int64_t *stride_length) |
| High-level function for reading the box shape from all frames. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_particle_data_next_frame_read (const tng_trajectory_t tng_data, const int64_t block_id, void **values, char *data_type, int64_t *retrieved_frame_number, double *retrieved_time) |
| High-level function for reading the next frame of particle-dependent data of a specific type. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_non_particle_data_next_frame_read (const tng_trajectory_t tng_data, const int64_t block_id, void **values, char *data_type, int64_t *retrieved_frame_number, double *retrieved_time) |
| High-level function for reading the next frame of non-particle-dependent data of a specific type. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_read_range (const tng_trajectory_t tng_data, const int64_t first_frame, const int64_t last_frame, float **positions, int64_t *stride_length) |
| High-level function for reading the positions of all particles from a specific range of frames. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_read_range (const tng_trajectory_t tng_data, const int64_t first_frame, const int64_t last_frame, float **velocities, int64_t *stride_length) |
| High-level function for reading the velocities of all particles from a specific range of frames. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_force_read_range (const tng_trajectory_t tng_data, const int64_t first_frame, const int64_t last_frame, float **forces, int64_t *stride_length) |
| High-level function for reading the forces of all particles from a specific range of frames. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_box_shape_read_range (const tng_trajectory_t tng_data, const int64_t first_frame, const int64_t last_frame, float **box_shape, int64_t *stride_length) |
| High-level function for reading the box shape from a specific range of frames. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_generic_write_interval_set (const tng_trajectory_t tng_data, const int64_t i, const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, const char particle_dependency, const char compression) |
| High-level function for setting the writing interval of data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_generic_write_interval_double_set (const tng_trajectory_t tng_data, const int64_t i, const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, const char particle_dependency, const char compression) |
| High-level function for setting the writing interval of data blocks containing double precision data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_generic_write_frequency_set (const tng_trajectory_t tng_data, const int64_t i, const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, const char particle_dependency, const char compression) |
| High-level function for setting the writing interval of data blocks. Obsolete! Use tng_util_generic_write_interval_set() More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_write_interval_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of position data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_write_interval_double_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of position data blocks containing double precision data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_write_frequency_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of position data blocks. Obsolete! Use tng_util_pos_write_interval_set() More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_write_interval_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of velocity data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_write_interval_double_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of velocity data blocks containing double precision data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_write_frequency_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of velocity data blocks. Obsolete! Use tng_util_vel_write_interval_set() More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_force_write_interval_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of force data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_force_write_interval_double_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of force data blocks containing double precision data. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_force_write_frequency_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of force data blocks. Obsolete! Use tng_util_force_write_interval_set() More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_box_shape_write_interval_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of box shape data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_box_shape_write_frequency_set (const tng_trajectory_t tng_data, const int64_t i) |
| High-level function for setting the writing interval of velocity data blocks. Obsolete! Use tng_util_box_shape_write_interval_set() More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_generic_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const float *values, const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, const char particle_dependency, const char compression) |
| High-level function for writing data of one frame to a data block. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_generic_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double *values, const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, const char particle_dependency, const char compression) |
| High-level function for writing data of one frame to a double precision data block. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const float *positions) |
| High-level function for adding data to positions data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double *positions) |
| High-level function for adding data to positions data blocks at double precision. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const float *velocities) |
| High-level function for adding data to velocities data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double *velocities) |
| High-level function for adding data to velocities data blocks at double precision. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_force_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const float *forces) |
| High-level function for adding data to forces data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_force_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double *forces) |
| High-level function for adding data to forces data blocks at double precision. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_box_shape_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const float *box_shape) |
| High-level function for adding data to box shape data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_box_shape_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double *box_shape) |
| High-level function for adding data to box shape data blocks at double precision. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_generic_with_time_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const float *values, const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, const char particle_dependency, const char compression) |
| High-level function for writing data of one frame to a data block. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_generic_with_time_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const double *values, const int64_t n_values_per_frame, const int64_t block_id, const char *block_name, const char particle_dependency, const char compression) |
| High-level function for writing data of one frame to a double precision data block. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_with_time_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const float *positions) |
| High-level function for adding data to positions data blocks. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_pos_with_time_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const double *positions) |
| High-level function for adding data to positions data blocks at double precision. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_with_time_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const float *velocities) |
| High-level function for adding data to velocities data blocks. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_vel_with_time_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const double *velocities) |
| High-level function for adding data to velocities data blocks at double precision. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_force_with_time_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const double *forces) |
| High-level function for adding data to forces data blocks at double precision. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_box_shape_with_time_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const float *box_shape) |
| High-level function for adding data to box shape data blocks. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_box_shape_with_time_double_write (const tng_trajectory_t tng_data, const int64_t frame_nr, const double time, const double *box_shape) |
| High-level function for adding data to box shape data blocks at double precision. If the frame is at the beginning of a frame set the time stamp of the frame set is set. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_frame_current_compression_get (const tng_trajectory_t tng_data, const int64_t block_id, int64_t *codec_id, double *factor) |
| High-level function for getting the compression method and multiplication factor of the last read frame of a specific data block. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_trajectory_next_frame_present_data_blocks_find (const tng_trajectory_t tng_data, int64_t current_frame, const int64_t n_requested_data_block_ids, const int64_t *requested_data_block_ids, int64_t *next_frame, int64_t *n_data_blocks_in_next_frame, int64_t **data_block_ids_in_next_frame) |
| High-level function for determining the next frame with data and what data blocks have data for that frame. The search can be limited to certain data blocks. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_prepare_append_after_frame (const tng_trajectory_t tng_data, const int64_t prev_frame) |
| Finds the frame set of the specified frame in order to prepare for writing after it. More...
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tng_function_status DECLSPECDLLEXPORT | tng_util_num_frames_with_data_of_block_id_get (const tng_trajectory_t tng_data, const int64_t block_id, int64_t *n_frames) |
| Get the number of frames containing data of a specific type. More...
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