De-lint groups.py

I did my best (via Google) to make sure that renamed public members and methods had minimal impact on others' code.
2020-05-24 11:13:06 -07:00
parent 6cbcac3be9
commit a534d97016
10 changed files with 703 additions and 650 deletions
--- a/propka/iterative.py
+++ b/propka/iterative.py
@@ -339,8 +339,8 @@ class Iterative:
            coulomb    += value

        self.pKa_NonIterative  = group.model_pka
-        self.pKa_NonIterative += group.Emass
-        self.pKa_NonIterative += group.Elocl
+        self.pKa_NonIterative += group.energy_volume
+        self.pKa_NonIterative += group.energy_local
        self.pKa_NonIterative += side_chain
        self.pKa_NonIterative += back_bone
        self.pKa_NonIterative += coulomb