cgexplore.terms.TargetMartiniAngle

class cgexplore.terms.TargetMartiniAngle(type1, type2, type3, element1, element2, element3, funct, angle, angle_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

type1

type2

type3

element1

element2

element3

funct

angle

angle_k

Parameters:

  • type1 (str)

  • type2 (str)

  • type3 (str)

  • element1 (str)

  • element2 (str)

  • element3 (str)

  • funct (int)

  • angle (Quantity)

  • angle_k (Quantity)

human_readable()[source]

Return human-readable definition of this target term.

Return type:

str

angle: Quantity
angle_k: Quantity
element1: str
element2: str
element3: str
funct: int
type1: str
type2: str
type3: str