cgexplore.terms.TargetPyramidAngle¶

class cgexplore.terms.TargetPyramidAngle(type1, type2, type3, element1, element2, element3, angle, angle_k, opposite_angle)[source]¶

Bases: TargetAngle

Defines a target angle to search for in a molecule.

Methods

human_readable

Return human-readable definition of this target term.

Attributes

`opposite_angle`
`angle`
`angle_k`
`element1`
`element2`
`element3`
`type1`
`type2`
`type3`

Parameters:

type1 (str)
type2 (str)
type3 (str)
element1 (str)
element2 (str)
element3 (str)
angle (Quantity)
angle_k (Quantity)
opposite_angle (Quantity)

human_readable()[source]¶

Return human-readable definition of this target term.

Return type:: str

vector()¶

Return vector defining this target term.

Return type:: tuple[float, float]

vector_key()¶

Return key for vector defining this target term.

Return type:: str

angle: Quantity¶

angle_k: Quantity¶

element1: str¶

element2: str¶

element3: str¶

opposite_angle: Quantity¶

type1: str¶

type2: str¶

type3: str¶