Bond

---

bigsmiles.data_structures.bigsmiles.Bond(id_, symbol, atom1, atom2=None, ring_id=None, parent=None, **kwargs)

this class represents a bond

PARAMETER	DESCRIPTION
id_	id of bond (id is limited to bonds). Range: [1, inf] TYPE: int
symbol	bond symbol (e.g. '', '=', '#') TYPE: str
atom1	atom that the bond starts at TYPE: Atom | BondDescriptorAtom | StochasticObject
atom2	atom that the bond ends at TYPE: Atom | BondDescriptorAtom | StochasticObject | None DEFAULT: None
ring_id	if the bond is closing a ring, this is the index for that ring TYPE: int | None DEFAULT: None
parent	the owner of the bond TYPE: BigSMILES | Branch | StochasticFragment | None DEFAULT: None
kwargs	any additional keyword arguments are accepted and set as additional attributes DEFAULT: {}

aromatic: bool property

Limited accuracy

bond_order: int property writable

number of covalent bonds represented

details: str property

long string representation

root: BigSMILES property

the owner at the top of the parent tree

__eq__(other)

equality is based on the following parameters:

• id_
• symbol
• ring_id
• atom1.id_
• atom2.id_

__iter__()

iterates over Atoms

delete()

deletes bond and removes it from atoms and root