chemcoord.xyz_functions.orthonormalize_righthanded

chemcoord.xyz_functions.orthonormalize_righthanded(basis)[source]

Orthonormalizes righthandedly a given 3D basis.

This function returns a right handed orthonormalized basis. Since only the first two vectors in the basis are used, it does not matter if you give two or three vectors.

Right handed means, that:

\[\]

ec{e_1} imes ec{e_2} &= ec{e_3}

ec{e_2} imes ec{e_3} &= ec{e_1}

ec{e_3} imes ec{e_1} &= ec{e_2}

Args:

basis: An array of shape (3,2) or (3,3).

Returns:

A right handed orthonormalized basis as a numpy array.

Parameters:

basis (ndarray[tuple[int, ...], dtype[floating]])

Return type:

ndarray[tuple[int, …], dtype[float64]]