Atom Typing#
Each forcefield plug-in must provide a method to set the atom types for a system, sotring them in the atom_types_{forcefield name} field of the atoms. By default the main system should be used, but optionally the calling code can pass a handle to the system it wants typed. If the system cannot be typed successfully, the code should not change the existing atom type attribute of the atoms for the forcefield, nor should it create a partial or empty attribute. If there are any errors or it is not possible to atom type the system, an error should be raised.