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add shift options when building dual surface #8

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Mar 8, 2022
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add shift options when building dual surface #8

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add shift options when building dual surface
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@daico007
daico007 committed Jan 13, 2022
commit b7184b0e22afffefc0cec19a994c665ffba097d5
8 changes: 7 additions & 1 deletion surface_coatings/monolayer.py
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Original file line number Diff line number Diff line change
Expand Up @@ -111,13 +111,19 @@ class DualMonolayer(mb.Compound):
separation: float, optional, default=0.8
The separation between the two surfaces.
"""
def __init__(self, top, bottom, separation=0.8):
def __init__(self, top, bottom, separation=0.8, shift=False):
super(DualMonolayer, self).__init__()
top.spin(np.pi, around=[0, 1, 0])

bot_box = bottom.get_boundingbox()
z_val = bot_box.lengths[2]
top.translate([0, 0, z_val + separation])

if shift:
top.translate([bottom.pos[0] - top.pos[0],
bottom.pos[1] - top.pos[1],
0])

if (top.name and bottom.name) and (top.name != bottom.name):
self.add(top, label=top.name)
self.add(bottom, label=bottom.name)
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