This namespace contains constants representing various supported SMARTS pattern constraints for bonds.
For non-aromatic bond types,
BondType exports the explicit bond order/type,
For aromatic bonds types and
AromBondType specified, an aromatic bond type is exported,
AnyBondType is specified, a generic any bond type is exported,
For non-aromatic bonds, ring/chain constraints are exported.
This constant requests the encoding of bond cis/tran parity information via
forward and backward
/ designations on the bond neighbors. Note that this information requires the
presence of the neighbor atoms of the geometric double bond in the SMARTS query to be a meaningful
mapping constraint. Additionally, the encoded cis/trans parity state is explicitly
dependent on the ordering of neighbor atoms, requiring suppression of any
atom reordering when generating the full molecule SMARTS, as well as requesting
OESMILESFlag.BondStereo during the molecule SMARTS generation.
This constant is a collection of all available flags.
(BondType | AromBondType | AnyBondType | BondTopo | Chirality)
These two constant values equivalently request that no bond pattern constraints are generated.
This constant provides a collection of bond pattern constraints suitable for exact-match searching.
(BondType | AromBondType | BondTopo)
This flag is not included, as it requires consideration of neighbor atoms to the cis/trans bond
but should be carefully considered for augmenting an exact-match context: