[Bug]: Conformational entropy

[skfegan]

Bug Report

Toluene and pyridine reported conformational entropy greater than 0 when because of the rigid rings we expect the conformational entropy to be 0.

To Reproduce

• CodeEntropy Version: 1.0.7

[skfegan]

The problem was in the peak assignments. When there were two neighboring bins in the histogram with the same count, the code was treating them as two peaks when they should have been the same peak.