rmgpy.data.statmech.GroupFrequencies¶

class 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.