cgexplore.terms.TargetBondRange

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

Bases: object

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

Parameters:

  • type1 (str) – Atom/bead type of atom.

  • type2 (str) – Atom/bead type of atom.

  • element1 (str) – Element string of atom.

  • element2 (str) – Element string of atom.

  • bond_rs (Sequence[Quantity]) – Each r quantity of bond force to be implemented in a forcefield library.

  • bond_ks (Sequence[Quantity]) – Each k quantity of bond force to be implemented in a forcefield library.

Methods

yield_bonds

Find interactions matching target.

Attributes

type1

type2

element1

element2

bond_rs

bond_ks

yield_bonds()[source]

Find interactions matching target.

Return type:

Iterable[TargetBond]

bond_ks: Sequence[Quantity]
bond_rs: Sequence[Quantity]
element1: str
element2: str
type1: str
type2: str