angle

A module containing the Angle class.

Summary

Classes:

Angle

A class to represent an angle in a molecular topology.

Reference

class Angle(
index1: PositiveInt,
index2: PositiveInt,
index3: PositiveInt,
equilibrium_angle: PositiveReal | None = None,
angle_type: PositiveInt | None = None,
is_linker: bool = False,
comment: str | None = None,
)[source]

Bases: object

A class to represent an angle in a molecular topology.

Parameters:

  • index1 (PositiveInt) – The index of the first atom in the angle.

  • index2 (PositiveInt) – The index of the second atom in the angle.

  • index3 (PositiveInt) – The index of the third atom in the angle.

  • equilibrium_angle (PositiveReal, optional) – The equilibrium angle of the angle, by default None.

  • angle_type (PositiveInt, optional) – The type of the angle, by default None.

  • is_linker (bool, optional) – A flag to indicate if the angle is a linker, by default False.

  • comment (str, optional) – A comment for the angle, by default None.

__eq__(value: object) → bool[source]

Compare the Angle object with another object.

Parameters:

value (object) – The object to compare with the Angle object.

Returns:

True if the objects are equal, False otherwise.

Return type:

bool

copy() → Angle[source]

A method to create a copy of the angle.

Returns:

A copy of the angle.

Return type:

Angle