stk.Molecule
============

.. currentmodule:: stk

.. autoclass:: Molecule
   :members:
   :inherited-members:
   :undoc-members:
   :show-inheritance:

   
   
   .. rubric:: Methods

   .. autosummary::
      :nosignatures:
   
      ~Molecule.clone
      ~Molecule.get_atomic_positions
      ~Molecule.get_atoms
      ~Molecule.get_bonds
      ~Molecule.get_canonical_atom_ids
      ~Molecule.get_centroid
      ~Molecule.get_direction
      ~Molecule.get_maximum_diameter
      ~Molecule.get_num_atoms
      ~Molecule.get_num_bonds
      ~Molecule.get_plane_normal
      ~Molecule.get_position_matrix
      ~Molecule.to_atomlite
      ~Molecule.to_rdkit_mol
      ~Molecule.with_canonical_atom_ordering
      ~Molecule.with_centroid
      ~Molecule.with_displacement
      ~Molecule.with_position_matrix
      ~Molecule.with_rotation_about_axis
      ~Molecule.with_rotation_between_vectors
      ~Molecule.with_rotation_to_minimize_angle
      ~Molecule.with_structure_from_file
      ~Molecule.write