pyxmolpp2.TorsionAngle class

Torsion angle

Contents

Methods

def rotate_to(self, value: AngleValue, noop_tolerance: AngleValue = Degrees(0.01)) -> None
Perform rotation around torsion angle
def value(self, /) -> AngleValue
Current value

Special methods

def __init__(self, a: Atom, b: Atom, c: Atom, d: Atom) -> None
Constructor of read-only value
def __init__(self, a: Atom, b: Atom, c: Atom, d: Atom, affected_atoms_selector: typing.Callable[[Atom, Atom, Atom, Atom], AtomSelection]) -> None
Constructor of read-write value

Method documentation

def pyxmolpp2.TorsionAngle.rotate_to(self, value: AngleValue, noop_tolerance: AngleValue = Degrees(0.01)) -> None

Perform rotation around torsion angle

Parameters
value target value of torsion angle
noop_tolerance no-op tolerance to skip negligible rotations
Precondition:
Must be a read-write

Note that this is O(N) operation where N is number of affected atoms