Bond Descriptor

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bigsmiles.data_structures.bigsmiles.BondDescriptor(parent, descriptor, index_, bond_symbol, **kwargs)

this class represents a bonding descriptor

PARAMETER	DESCRIPTION
parent	the owner of the bonding descriptor TYPE: StochasticObject
descriptor	descriptor symbol [$, >, <] TYPE: str
index_	descriptor index [1, inf] TYPE: int
bond_symbol	bond symbol TYPE: str | None
kwargs	any additional keyword arguments are accepted and set as additional attributes DEFAULT: {}

aromatic: bool property

limited accuracy

bond_order: int | None property

number of covalent bonds represented

details: str property

long string representation

implicit: bool property

returns true is it is an implicit bonding descriptor

instances: list[BondDescriptorAtom] property writable

list of BondDescriptorAtom that are based on this bonding descriptor

root: BigSMILES property

the owner at the top of the parent tree

symbol: str property

descriptor + index

__eq__(other)

equality is based on the following parameters:

• descriptor
• index_
• bond_symbol

is_pair(bd)

Returns true if symbols are <> and index match.