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
oftuples
, where eachtuple
defines a lower bound, upper bound, and degeneracy. Each group also has a symmetry correction.- generate_frequencies(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.