mbuild_polybuild.aa_functional_groups.tftb.TFTB.bonds

TFTB.bonds(return_bond_order=False)

Return all bonds in the Compound and sub-Compounds.

Parameters:

return_bond_order (bool, optional, default=False) – Return the bond order of the bond as the 3rd argument in the tuple. bond order is returned as a dictionary with ‘bo’ as the key. If bond order is not set, the value will be set to ‘default’.

Yields:

tuple of mb.Compound – The next bond in the Compound

See also

bond_graph.edges_iter

Iterates over all edges in a BondGraph

Compound.n_bonds

Returns the total number of bonds in the Compound and sub-Compounds