Index A | B | C | D | E | F | G | H | I | L | M | N | P | R | S | V | W | X A active_atoms() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) add_atom() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) add_bond() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) add_broken_bond() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) add_fleeting_bond() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) add_formed_bond() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) are_planar() (in module stereomolgraph.coords) atom_types (stereomolgraph.CondensedReactionGraph property) (stereomolgraph.MolGraph property) (stereomolgraph.StereoCondensedReactionGraph property) (stereomolgraph.StereoMolGraph property) atoms (stereomolgraph.CondensedReactionGraph property) (stereomolgraph.MolGraph property) (stereomolgraph.StereoCondensedReactionGraph property) (stereomolgraph.StereoMolGraph property) atoms_with_attributes (stereomolgraph.CondensedReactionGraph property) (stereomolgraph.MolGraph property) (stereomolgraph.StereoCondensedReactionGraph property) (stereomolgraph.StereoMolGraph property) B bonded_to() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) bonds (stereomolgraph.CondensedReactionGraph property) (stereomolgraph.MolGraph property) (stereomolgraph.StereoCondensedReactionGraph property) (stereomolgraph.StereoMolGraph property) bonds_from_bond_order_matrix() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) bonds_with_attributes (stereomolgraph.CondensedReactionGraph property) (stereomolgraph.MolGraph property) (stereomolgraph.StereoCondensedReactionGraph property) (stereomolgraph.StereoMolGraph property) C circular_fingerprint() (in module stereomolgraph.algorithms.circular) circular_generator() (in module stereomolgraph.algorithms.circular) circular_stereo_fingerprint() (in module stereomolgraph.algorithms.circular) color_planar_bond_changes (stereomolgraph.ipython.View2D attribute) color_refine_hash_crg() (in module stereomolgraph.algorithms.circular) color_refine_hash_mg() (in module stereomolgraph.algorithms.circular) color_refine_hash_scrg() (in module stereomolgraph.algorithms.circular) color_refine_hash_smg() (in module stereomolgraph.algorithms.circular) compose() (stereomolgraph.CondensedReactionGraph class method) (stereomolgraph.MolGraph class method) (stereomolgraph.StereoCondensedReactionGraph class method) (stereomolgraph.StereoMolGraph class method) CondensedReactionGraph (class in stereomolgraph) connected_components() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) connectivity_matrix() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) copy() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) COVALENT_RADII (in module stereomolgraph.periodic_table) D delete_atom_attribute() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) delete_atom_stereo() (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) delete_bond_attribute() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) delete_bond_stereo() (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) dummy_atoms (stereomolgraph.ipython.View2D attribute) E enantiomer() (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) F freeze() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) from_atom_types_and_bond_order_matrix() (stereomolgraph.CondensedReactionGraph class method) (stereomolgraph.MolGraph class method) (stereomolgraph.StereoCondensedReactionGraph class method) (stereomolgraph.StereoMolGraph class method) from_geometries() (stereomolgraph.CondensedReactionGraph class method) (stereomolgraph.StereoCondensedReactionGraph class method) from_geometry() (stereomolgraph.StereoCondensedReactionGraph class method) (stereomolgraph.StereoMolGraph class method) from_geometry_and_bond_order_matrix() (stereomolgraph.CondensedReactionGraph class method) (stereomolgraph.MolGraph class method) (stereomolgraph.StereoCondensedReactionGraph class method) (stereomolgraph.StereoMolGraph class method) from_graphs() (stereomolgraph.CondensedReactionGraph class method) (stereomolgraph.StereoCondensedReactionGraph class method) from_rdmol() (stereomolgraph.CondensedReactionGraph class method) (stereomolgraph.MolGraph class method) (stereomolgraph.StereoCondensedReactionGraph class method) (stereomolgraph.StereoMolGraph class method) from_xyz() (stereomolgraph.coords.Geometry class method) from_xyz_file() (stereomolgraph.coords.Geometry class method) from_xyz_file_multi() (stereomolgraph.coords.Geometry class method) from_xyz_multi() (stereomolgraph.coords.Geometry class method) frozen (stereomolgraph.CondensedReactionGraph property) (stereomolgraph.MolGraph property) (stereomolgraph.StereoCondensedReactionGraph property) (stereomolgraph.StereoMolGraph property) G generate_bond_orders (stereomolgraph.ipython.View2D attribute) Geometry (class in stereomolgraph.coords) get_atom_attribute() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) get_atom_attributes() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) get_atom_stereo() (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) get_atom_type() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) get_bond_attribute() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) get_bond_attributes() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) get_bond_stereo() (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) get_broken_bonds() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) get_fleeting_bonds() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) get_formed_bonds() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) H handedness() (in module stereomolgraph.coords) has_atom() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) has_bond() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) height (stereomolgraph.ipython.View2D attribute) I is_stereo_valid() (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) L label_hash() (in module stereomolgraph.algorithms.circular) M module stereomolgraph.algorithms.circular stereomolgraph.algorithms.isomorphism stereomolgraph.coords stereomolgraph.experimental stereomolgraph.graph2rdmol stereomolgraph.ipython stereomolgraph.periodic_table stereomolgraph.rdmol2graph MolGraph (class in stereomolgraph) N n_atoms (stereomolgraph.CondensedReactionGraph property) (stereomolgraph.MolGraph property) (stereomolgraph.StereoCondensedReactionGraph property) (stereomolgraph.StereoMolGraph property) neighbors (stereomolgraph.CondensedReactionGraph property) (stereomolgraph.MolGraph property) (stereomolgraph.StereoCondensedReactionGraph property) (stereomolgraph.StereoMolGraph property) node_connected_component() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) numpy_int_multiset_hash() (in module stereomolgraph.algorithms.circular) P PERIODIC_TABLE (in module stereomolgraph.periodic_table) product() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) R RDMol2StereoMolGraph (class in stereomolgraph.rdmol2graph) reactant() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) relabel_atoms() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) remove_atom() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) remove_bond() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) reverse_reaction() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.StereoCondensedReactionGraph method) S set_atom_attribute() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) set_atom_stereo() (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) set_bond_attribute() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) set_bond_stereo() (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) show_atom_numbers (stereomolgraph.ipython.View2D attribute) show_h (stereomolgraph.ipython.View2D attribute) stereo_mol_graph_to_rdmol() (in module stereomolgraph.graph2rdmol) StereoCondensedReactionGraph (class in stereomolgraph) StereoMolGraph (class in stereomolgraph) stereomolgraph.algorithms.circular module stereomolgraph.algorithms.isomorphism module stereomolgraph.coords module stereomolgraph.experimental module stereomolgraph.graph2rdmol module stereomolgraph.ipython module stereomolgraph.periodic_table module stereomolgraph.rdmol2graph module subgraph() (stereomolgraph.CondensedReactionGraph method) (stereomolgraph.MolGraph method) (stereomolgraph.StereoCondensedReactionGraph method) (stereomolgraph.StereoMolGraph method) V vf2pp_all_isomorphisms() (in module stereomolgraph.algorithms.isomorphism) View2D (class in stereomolgraph.ipython) W width (stereomolgraph.ipython.View2D attribute) X xyz_str() (stereomolgraph.coords.Geometry method)