cgexplore.terms.TargetCosineAngle

class cgexplore.terms.TargetCosineAngle(type1, type2, type3, element1, element2, element3, n, b, angle_k)

Bases: object

Defines a target angle to search for in a molecule.

Methods

human_readable	Return human-readable definition of this target term.
vector	Return vector defining this target term.
vector_key	Return key for vector defining this target term.

Attributes

type1
type2
type3
element1
element2
element3
n
b
angle_k

Parameters:

• type1 (str)

• type2 (str)

• type3 (str)

• element1 (str)

• element2 (str)

• element3 (str)

• n (int)

• b (int)

• angle_k (Quantity)

human_readable()

Return human-readable definition of this target term.

Return type:

str

vector()

Return vector defining this target term.

Return type:

tuple[float, float, float]

vector_key()

Return key for vector defining this target term.

Return type:

str

angle_k: Quantity

b: int

element1: str

element2: str

element3: str

n: int

type1: str

type2: str

type3: str