From 129fc6804611420ebd48f652eefbf3db72afdcf1 Mon Sep 17 00:00:00 2001 From: Chris Maffeo <cmaffeo2@illinois.edu> Date: Thu, 14 Jun 2018 14:23:49 -0500 Subject: [PATCH] Updated crossover potentials --- segmentmodel.py | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/segmentmodel.py b/segmentmodel.py index 3801791..29c1e60 100644 --- a/segmentmodel.py +++ b/segmentmodel.py @@ -1913,12 +1913,12 @@ class SegmentModel(ArbdModel): crossover_bead_pots = set() for c,A,B in self.get_connections("crossover"): - b1,b2 = [loc.particle for loc in (c.A,c.B)] + b1,b2 = [loc.particle for loc in (A,B)] ## Avoid double-counting - if (b1,b2) in crossover_bead_pots: continue - crossover_bead_pots.add((b1,b2)) - crossover_bead_pots.add((b2,b1)) + if (b1,b2,A.on_fwd_strand,B.on_fwd_strand) in crossover_bead_pots: continue + crossover_bead_pots.add((b1,b2,A.on_fwd_strand,B.on_fwd_strand)) + crossover_bead_pots.add((b2,b1,B.on_fwd_strand,A.on_fwd_strand)) pot = self.get_bond_potential(4,18.5) self.add_bond(b1,b2, pot) @@ -1994,6 +1994,7 @@ class SegmentModel(ArbdModel): ## TODOTODO check that this works for crossovers in self.get_consecutive_crossovers(): + if local_twist: break ## filter crossovers new_cl = [] lastParticle = None -- GitLab