Commit 6f443013 authored by Jason Swails's avatar Jason Swails
Browse files

box_lengths -> boxLengths.

My test with a periodic system now works, but the interface to adding box
vectors should be improved.
parent 431fae9f
...@@ -812,7 +812,7 @@ class CharmmPsfFile(object): ...@@ -812,7 +812,7 @@ class CharmmPsfFile(object):
# Add the periodic box if there is one # Add the periodic box if there is one
if self.box_vectors is not None: if self.box_vectors is not None:
topology.setUnitCellDimensions(self.box_lengths) topology.setUnitCellDimensions(self.boxLengths)
return topology return topology
...@@ -1199,7 +1199,7 @@ class CharmmPsfFile(object): ...@@ -1199,7 +1199,7 @@ class CharmmPsfFile(object):
# Set cutoff # Set cutoff
if cutoff is None: if cutoff is None:
# Compute cutoff automatically # Compute cutoff automatically
box = self.box_lengths box = self.boxLengths
min_box_width = min((box[0]/u.nanometers, min_box_width = min((box[0]/u.nanometers,
box[1]/u.nanometers, box[1]/u.nanometers,
box[2]/u.nanometers)) box[2]/u.nanometers))
......
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