From 02ca72d91d52838ee4ee2fe978b5dd3bc4a75074 Mon Sep 17 00:00:00 2001 From: Nathan Baker Date: Sat, 23 May 2020 13:16:18 -0700 Subject: [PATCH] Remove self.h_dist attribute. Only used in __init__ function. Addresses https://github.com/jensengroup/propka-3.1/pull/40#discussion_r429570945 --- propka/bonds.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/propka/bonds.py b/propka/bonds.py index d77645b..189f9cb 100644 --- a/propka/bonds.py +++ b/propka/bonds.py @@ -28,9 +28,9 @@ class BondMaker: self.distances_squared = {} for key in self.distances: self.distances_squared[key] = self.distances[key] * self.distances[key] - self.h_dist = HYDROGEN_DISTANCE + h_dist = HYDROGEN_DISTANCE self.default_dist = DEFAULT_DISTANCE - self.h_dist_squared = self.h_dist * self.h_dist + self.h_dist_squared = h_dist * h_dist self.default_dist_squared = self.default_dist * self.default_dist distances = list(self.distances_squared.values()) + [self.default_dist_squared] self.max_sq_distance = max(distances)