BayesPairing 2.1 - added changelog

bayespairing/CHANGELOG

+BAYESPAIRING 1.1 
+
+- Updated scoring system to score structure probability out of 25000 in order to maintain interpretability of results while keeping the same scoring system when comparing datasets with different sample size
+- Updated Bayesian probability scoring to never score the same structure twice (keeping a smaller dictionary of already scored candidates rather than looking through the large dictionary of samples every time).
+- Known issue: cannot update Bayesian sample if the sample exists. It needs to be deleted manually before the command is run for -p to be considered. Will be fixed soon.

bayespairing/src/bayes_to_seqpy.py

@@ -176,9 +176,8 @@ def score_struct(
     for i in candidate_list:
         if i!=4:
             test_string = test_string + str(i)
-    for i in scores.keys():
-        if i == test_string:
-            score = float(scores[i])
+    if test_string in scores.keys():
+        score = float(scores[test_string])
     size = float(len(nodes))
     nullmodel = pow(0.25,size)