Commit 0dd32915 authored by Peter Eastman's avatar Peter Eastman
Browse files

Allow boxSize argument to be a list or tuple instead of a Vec3

parent d2a6f00c
...@@ -165,7 +165,9 @@ class Modeller(object): ...@@ -165,7 +165,9 @@ class Modeller(object):
# Pick a unit cell size. # Pick a unit cell size.
if boxSize is not None: if boxSize is not None:
box = boxSize if is_quantity(boxSize):
boxSize = boxSize.value_in_unit(nanometer)
box = Vec3(boxSize[0], boxSize[1], boxSize[2])*nanometer
elif padding is not None: elif padding is not None:
maxSize = max(max((pos[i] for pos in self.positions))-min((pos[i] for pos in self.positions)) for i in range(3)) maxSize = max(max((pos[i] for pos in self.positions))-min((pos[i] for pos in self.positions)) for i in range(3))
box = (maxSize+2*padding)*Vec3(1, 1, 1) box = (maxSize+2*padding)*Vec3(1, 1, 1)
......
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