Crate chemfiles_sys 

Structs

chfl_format_metadata

chfl_match

Enums

CHFL_ATOM

CHFL_CELL

CHFL_FRAME

CHFL_PROPERTY

CHFL_RESIDUE

CHFL_SELECTION

CHFL_TOPOLOGY

CHFL_TRAJECTORY

chfl_bond_order

chfl_cellshape

chfl_property_kind

chfl_status

Functions

chfl_add_configuration^⚠

chfl_atom^⚠

chfl_atom_atomic_number^⚠

chfl_atom_charge^⚠

chfl_atom_copy^⚠

chfl_atom_covalent_radius^⚠

chfl_atom_from_frame^⚠

chfl_atom_from_topology^⚠

chfl_atom_full_name^⚠

chfl_atom_get_property^⚠

chfl_atom_list_properties^⚠

chfl_atom_mass^⚠

chfl_atom_name^⚠

chfl_atom_properties_count^⚠

chfl_atom_set_charge^⚠

chfl_atom_set_mass^⚠

chfl_atom_set_name^⚠

chfl_atom_set_property^⚠

chfl_atom_set_type^⚠

chfl_atom_type^⚠

chfl_atom_vdw_radius^⚠

chfl_cell^⚠

chfl_cell_angles^⚠

chfl_cell_copy^⚠

chfl_cell_from_frame^⚠

chfl_cell_from_matrix^⚠

chfl_cell_lengths^⚠

chfl_cell_matrix^⚠

chfl_cell_set_angles^⚠

chfl_cell_set_lengths^⚠

chfl_cell_set_shape^⚠

chfl_cell_shape^⚠

chfl_cell_volume^⚠

chfl_cell_wrap^⚠

chfl_clear_errors^⚠

chfl_formats_list^⚠

chfl_frame^⚠

chfl_frame_add_atom^⚠

chfl_frame_add_bond^⚠

chfl_frame_add_residue^⚠

chfl_frame_add_velocities^⚠

chfl_frame_angle^⚠

chfl_frame_atoms_count^⚠

chfl_frame_bond_with_order^⚠

chfl_frame_clear_bonds^⚠

chfl_frame_copy^⚠

chfl_frame_dihedral^⚠

chfl_frame_distance^⚠

chfl_frame_get_property^⚠

chfl_frame_guess_bonds^⚠

chfl_frame_has_velocities^⚠

chfl_frame_list_properties^⚠

chfl_frame_out_of_plane^⚠

chfl_frame_positions^⚠

chfl_frame_properties_count^⚠

chfl_frame_remove^⚠

chfl_frame_remove_bond^⚠

chfl_frame_resize^⚠

chfl_frame_set_cell^⚠

chfl_frame_set_property^⚠

chfl_frame_set_step^⚠

chfl_frame_set_topology^⚠

chfl_frame_step^⚠

chfl_frame_velocities^⚠

chfl_free^⚠

chfl_guess_format^⚠

chfl_last_error^⚠

chfl_property_bool^⚠

chfl_property_double^⚠

chfl_property_get_bool^⚠

chfl_property_get_double^⚠

chfl_property_get_kind^⚠

chfl_property_get_string^⚠

chfl_property_get_vector3d^⚠

chfl_property_string^⚠

chfl_property_vector3d^⚠

chfl_residue^⚠

chfl_residue_add_atom^⚠

chfl_residue_atoms^⚠

chfl_residue_atoms_count^⚠

chfl_residue_contains^⚠

chfl_residue_copy^⚠

chfl_residue_for_atom^⚠

chfl_residue_from_topology^⚠

chfl_residue_get_property^⚠

chfl_residue_id^⚠

chfl_residue_list_properties^⚠

chfl_residue_name^⚠

chfl_residue_properties_count^⚠

chfl_residue_set_property^⚠

chfl_residue_with_id^⚠

chfl_selection^⚠

chfl_selection_copy^⚠

chfl_selection_evaluate^⚠

chfl_selection_matches^⚠

chfl_selection_size^⚠

chfl_selection_string^⚠

chfl_set_warning_callback^⚠

chfl_topology^⚠

chfl_topology_add_atom^⚠

chfl_topology_add_bond^⚠

chfl_topology_add_residue^⚠

chfl_topology_angles^⚠

chfl_topology_angles_count^⚠

chfl_topology_atoms_count^⚠

chfl_topology_bond_order^⚠

chfl_topology_bond_orders^⚠

chfl_topology_bond_with_order^⚠

chfl_topology_bonds^⚠

chfl_topology_bonds_count^⚠

chfl_topology_clear_bonds^⚠

chfl_topology_copy^⚠

chfl_topology_dihedrals^⚠

chfl_topology_dihedrals_count^⚠

chfl_topology_from_frame^⚠

chfl_topology_impropers^⚠

chfl_topology_impropers_count^⚠

chfl_topology_remove^⚠

chfl_topology_remove_bond^⚠

chfl_topology_residues_count^⚠

chfl_topology_residues_linked^⚠

chfl_topology_resize^⚠

chfl_trajectory_close^⚠

chfl_trajectory_memory_buffer^⚠

chfl_trajectory_memory_reader^⚠

chfl_trajectory_memory_writer^⚠

chfl_trajectory_nsteps^⚠

chfl_trajectory_open^⚠

chfl_trajectory_path^⚠

chfl_trajectory_read^⚠

chfl_trajectory_read_step^⚠

chfl_trajectory_set_cell^⚠

chfl_trajectory_set_topology^⚠

chfl_trajectory_topology_file^⚠

chfl_trajectory_with_format^⚠

chfl_trajectory_write^⚠

chfl_version^⚠

Type Aliases

c_bool

chfl_vector3d

chfl_warning_callback