Commit e8c3eab0 authored by peastman's avatar peastman
Browse files

Fixed an exception in addSolvent()

parent d4d25d46
...@@ -345,8 +345,11 @@ class Modeller(object): ...@@ -345,8 +345,11 @@ class Modeller(object):
elif padding is not None: elif padding is not None:
if is_quantity(padding): if is_quantity(padding):
padding = padding.value_in_unit(nanometer) padding = padding.value_in_unit(nanometer)
maxSize = max(max((pos[i] for pos in self.positions))-min((pos[i] for pos in self.positions)) for i in range(3)) if len(self.positions) == 0:
maxSize = maxSize.value_in_unit(nanometer) maxSize = 0
else:
maxSize = max(max((pos[i] for pos in self.positions))-min((pos[i] for pos in self.positions)) for i in range(3))
maxSize = maxSize.value_in_unit(nanometer)
box = (maxSize+2*padding)*Vec3(1, 1, 1) box = (maxSize+2*padding)*Vec3(1, 1, 1)
vectors = (Vec3(maxSize+2*padding, 0, 0), Vec3(0, maxSize+2*padding, 0), Vec3(0, 0, maxSize+2*padding)) vectors = (Vec3(maxSize+2*padding, 0, 0), Vec3(0, maxSize+2*padding, 0), Vec3(0, 0, maxSize+2*padding))
else: else:
......
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