Reference ABCMolecule ABCMolecule.convert

ABCMolecule.convert

convert(method='trig')

Converts ABCMolecule to XYZMolecule.

Parameters:

• method (str, "{'general' or 'trig' or 'linalg'}" default 'trig', default: 'trig' ) –

  Which method you want to use for converting ABCMolecule positional coords to, cartesian coordinates. 'general' is the general formula. 'trig' looks most correct and is the default. 'linalg' is an unfinished method using linear algebra concepts.

Returns:

• XYZMolecule –

  XYZMolecule object generated from converted ABCMolecule object.