Crate chemfiles_sys [−] [src]

Structs

Enums

CHFL_ATOM
CHFL_CELL
CHFL_FRAME
CHFL_PROPERTY
CHFL_RESIDUE
CHFL_SELECTION
CHFL_TOPOLOGY
CHFL_TRAJECTORY
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_free ^⚠
chfl_atom_from_frame ^⚠
chfl_atom_from_topology ^⚠
chfl_atom_full_name ^⚠
chfl_atom_get_property ^⚠
chfl_atom_mass ^⚠
chfl_atom_name ^⚠
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_free ^⚠
chfl_cell_from_frame ^⚠
chfl_cell_lengths ^⚠
chfl_cell_matrix ^⚠
chfl_cell_set_angles ^⚠
chfl_cell_set_lengths ^⚠
chfl_cell_set_shape ^⚠
chfl_cell_shape ^⚠
chfl_cell_triclinic ^⚠
chfl_cell_volume ^⚠
chfl_cell_wrap ^⚠
chfl_clear_errors ^⚠
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_copy ^⚠
chfl_frame_dihedral ^⚠
chfl_frame_distance ^⚠
chfl_frame_free ^⚠
chfl_frame_get_property ^⚠
chfl_frame_guess_topology ^⚠
chfl_frame_has_velocities ^⚠
chfl_frame_out_of_plane ^⚠
chfl_frame_positions ^⚠
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_last_error ^⚠
chfl_property_bool ^⚠
chfl_property_double ^⚠
chfl_property_free ^⚠
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_free ^⚠
chfl_residue_from_topology ^⚠
chfl_residue_id ^⚠
chfl_residue_name ^⚠
chfl_residue_with_id ^⚠
chfl_selection ^⚠
chfl_selection_copy ^⚠
chfl_selection_evaluate ^⚠
chfl_selection_free ^⚠
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_bonds ^⚠
chfl_topology_bonds_count ^⚠
chfl_topology_copy ^⚠
chfl_topology_dihedrals ^⚠
chfl_topology_dihedrals_count ^⚠
chfl_topology_free ^⚠
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_nsteps ^⚠
chfl_trajectory_open ^⚠
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 Definitions

c_bool
chfl_vector3d
chfl_warning_callback