cgexplore.terms.TargetMartiniBond

class cgexplore.terms.TargetMartiniBond(type1, type2, element1, element2, funct, bond_r, bond_k)[source]

Bases: object

Defines a target angle to search for in a molecule.

Methods

human_readable

Return human-readable definition of this target term.

Attributes

Parameters:
  • type1 (str)

  • type2 (str)

  • element1 (str)

  • element2 (str)

  • funct (int)

  • bond_r (Quantity)

  • bond_k (Quantity)

human_readable()[source]

Return human-readable definition of this target term.

Return type:

str

bond_k: Quantity
bond_r: Quantity
element1: str
element2: str
funct: int
type1: str
type2: str