molspecutils.molecule

Classes representing rovibrational molecular states and vibrational modes.

Rovibrational states

DiatomState(nu, j)
SymTopState(nu, j, k)

Vibrational modes

VibrationalMode()	Interface of a class representing a molecular vibrational mode.
LineParams(A, gamma, delta, sw)
AlchemyModeMixin()	Molecular vibrational mode backed by SQLAlchemy sqlite database.
CH3ClAlchemyMode([engine_or_path, iso])
COAlchemyMode([engine_or_path, iso])
C2H2AlchemyMode([engine_or_path, iso])
LinearManifold(origin, B[, D, HJ])
SymTopManifold(origin, B, C[, D, DJK, DK, ...])
COEffectiveMode(manifolds[, engine_or_path, iso])
CH3ClEffectiveMode(manifolds[, ...])

Functions

tme_sum(pair, mode)	Unweighted sum of transition matrix elements.
tme_sum_from_line_strength(pair, mode)	The magnitude is not correct.
rme(pair, mode)	Calculate reduced matrix element from Einstein A coefficient.
hitran_line_strength_rme(pair, mode[, unit])
hitran_line_strength(pair, mode[, unit])	Return HITRAN line strength for pair.
einstein_from_sw(pair, mode)	Calculate Einstein coefficient A21 from HITRAN line strength.