From aae4e4990bac1ec4e789aad7e3046e2470049b5d Mon Sep 17 00:00:00 2001 From: Saurabh Mogre Date: Mon, 9 Oct 2023 09:35:46 -0700 Subject: [PATCH] fix flake8 linting errors --- cellpack/autopack/Environment.py | 3 +-- cellpack/autopack/ingredient/Ingredient.py | 2 +- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/cellpack/autopack/Environment.py b/cellpack/autopack/Environment.py index d9d7df4d..2fe89974 100644 --- a/cellpack/autopack/Environment.py +++ b/cellpack/autopack/Environment.py @@ -90,7 +90,6 @@ # backward compatibility with kevin method from cellpack.autopack.BaseGrid import BaseGrid as BaseGrid -from .trajectory import dcdTrajectory, molbTrajectory from .randomRot import RandomRot from tqdm import tqdm @@ -1263,7 +1262,7 @@ def buildGrid(self, rebuild=True): else: self.grid.distToClosestSurf_store = self.grid.distToClosestSurf[:] - distance = self.grid.distToClosestSurf # [:] + # distance = self.grid.distToClosestSurf # [:] nbFreePoints = nbPoints # -1 # TODO: refactor this to work with new placed_objects data structure # for i, mingrs in enumerate(self.molecules): # ( jtrans, rotMatj, self, ptInd ) diff --git a/cellpack/autopack/ingredient/Ingredient.py b/cellpack/autopack/ingredient/Ingredient.py index 7927a376..55b1dc67 100644 --- a/cellpack/autopack/ingredient/Ingredient.py +++ b/cellpack/autopack/ingredient/Ingredient.py @@ -1172,7 +1172,7 @@ def getIngredientsInBox(self, env, jtrans, rotMat, compartment): self.vi.updateBox(box, cornerPoints=bb) self.vi.update() # sleep(1.0) - pointsInCube = env.grid.getPointsInCube(bb, jtrans, radius) + # pointsInCube = env.grid.getPointsInCube(bb, jtrans, radius) # should we got all ingre from all recipes? # can use the kdtree for it... # maybe just add the surface if its not already the surface