molspecutils.molecule.AlchemyModeMixin

class AlchemyModeMixin

Bases: VibrationalMode

Molecular vibrational mode backed by SQLAlchemy sqlite database.

Subclasses need to define and fill the following attributes:

• lines, dict from 2-tuples of RotState to LineParams

• elevels, dict from RotState to energy

• degeneracies, dict from RotState to quantum state degeneracy

__init__()

Methods

__init__()
degeneracy(state)	Return quantum state degeneracy.
delta(pair)	Pressure shift coefficient for pair molecular coherence.
difference_pop(pair, T)	Population difference factor between nondegenerate states.
energy(state)	Return energy of state.
equilibrium_pop(state, T)
gamma(pair)	Pressure broadening coefficient for pair molecular coherence.
line_params(pair)
mu(pair)	Reduced matrix element for pair[0] to pair[1] transition.
nu(pair)
sw(pair)	HITRAN line strength in cm-1 cm**2.
tips(T)	Total internal partition function.