OO API

[dgasmith]

An API like the following can be awkward:

fig.add_molecule("QC", molecule=ammonia_dimer)
fig.add_molecule("xyz", file='bucky.xyz')

It is a bit overloaded in general and doesn't follow any common python pattern.

Consider always using the pattern add_x(name, object) where we would have:

fig.add_molecule("mol1", Molecule)
fig.add_molecule("mol2", Molecule.from_file('Bucky.xyz"))
fig.add_orbital("Orbital1", Wavefunction)

It bring in an interesting question if we have two contexts:

fig.add_measurement("measure1", "mol1", [0, 1, 2])