cgexplore.terms.MartiniBondRange¶

class cgexplore.terms.MartiniBondRange(type1, type2, element1, element2, funct, bond_rs, bond_ks)[source]¶

Bases: object

Defines a target bond and ranges in parameters to search for.

Methods

Find bonds matching target.

Attributes

`type1`
`type2`
`element1`
`element2`
`funct`
`bond_rs`
`bond_ks`

Parameters:

type1 (str)
type2 (str)
element1 (str)
element2 (str)
funct (int)
bond_rs (Sequence[Quantity])
bond_ks (Sequence[Quantity])

yield_bonds()[source]¶

Find bonds matching target.

Return type:: Iterable[TargetMartiniBond]

bond_ks: Sequence[Quantity]¶

bond_rs: Sequence[Quantity]¶

element1: str¶

element2: str¶

funct: int¶

type1: str¶

type2: str¶