pyxmolpp2.XYZ class

3D Vector

Contents

Methods

def angle(self, r: XYZ) -> AngleValue
Angle between two vectors
def angle(self, b: XYZ, c: XYZ) -> AngleValue
Linear angle by three points
def cross(self, arg0: XYZ, /) -> XYZ
Cross product
def dihedral(self, b: XYZ, c: XYZ, d: XYZ) -> AngleValue
Dihedral angle by four points
def distance(self, r: XYZ) -> float
Distance
def distance2(self, r: XYZ) -> float
Distance squared
def dot(self, arg0: XYZ, /) -> float
Dot product
def len(self, /) -> float
Vector length
def len2(self, /) -> float
Vector length squared

Special methods

def __add__(self, arg0: XYZ, /) -> XYZ
def __init__(self, /) -> None
Default constructor
def __init__(self, x: float, y: float, z: float) -> None
Constructor
def __init__(self, arg0: XYZ, /) -> None
Copy constructor
def __mul__(self, arg0: float, /) -> XYZ
def __neg__(self, /) -> XYZ
def __repr__(self, /) -> str
def __rmul__(self, arg0: float, /) -> XYZ
def __str__(self, /) -> str
def __sub__(self, arg0: XYZ, /) -> XYZ
def __truediv__(self, arg0: float, /) -> XYZ

Properties

values: numpy.ndarray[numpy.float64[1, 3]] get set
Convert to/from numpy.ndarray[float, 3]
x: float get set
x coordinate
y: float get set
y coordinate
z: float get set
z coordinate