Atom, Structure, and HFTransform ----------------------------------- .. currentmodule:: pylada.crystal.cppwrappers .. autoclass:: Atom :show-inheritance: :members: pos, type This class is also available directly under :py:mod:`pylada.crystal`. .. automethod:: copy()->Atom .. automethod:: to_dict()->dict .. autoclass:: Structure :show-inheritance: This class is also available directly under :py:mod:`pylada.crystal`. .. autoattribute:: volume .. autoattribute:: cell .. autoattribute:: scale .. automethod:: copy()->Structure .. automethod:: to_dict()->dict .. automethod:: clear()->None .. automethod:: insert(index, atom)->None .. automethod:: pop(index)->Atom .. automethod:: extend(atoms)->None .. automethod:: append(atoms)->None .. automethod:: transform(matrix)->Structure .. automethod:: add_atom(...)->Structure .. automethod:: __getitem__() .. automethod:: __setitem__() .. autoclass:: HFTransform :show-inheritance: This class is also available directly under :py:mod:`pylada.crystal`. .. autoattribute:: quotient .. autoattribute:: transform .. automethod:: copy()->HFTransform .. automethod:: indices(position)->numpy.array .. automethod:: flatten_indices(indices, index=0)->numpy.array .. automethod:: index(position, index=0)->numpy.array