rmgpy.data.statmech.
GroupFrequencies
(frequencies=None, symmetry=1)¶Represent a set of characteristic frequencies for a group in the frequency
database. These frequencies are stored in the frequencies attribute, which
is a list
of tuples
, where each tuple
defines a lower bound,
upper bound, and degeneracy. Each group also has a symmetry correction.
generateFrequencies
(count=1)¶Generate a set of frequencies. For each characteristic frequency group, the number of frequencies returned is degeneracy * count, and these are distributed linearly between the lower and upper bounds.