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nearest_setting: fix sg of result
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cctbx/crystal/__init__.py

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -582,9 +582,14 @@ def nearest_setting(self, other,
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# Apply transformations: other_minimum -> near-reduced -> self's original setting
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result_uc = mc_other.unit_cell().change_basis(cb_near).change_basis(cbi_self)
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# Create result space group with same centering as self but no rotational symmetry
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self_centring = self.space_group().conventional_centring_type_symbol()
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result_sg_symbol = self_centring + ' 1'
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result_sg = sgtbx.space_group(result_sg_symbol)
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return symmetry(
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unit_cell=result_uc,
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space_group_info=other.space_group_info()
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space_group=result_sg
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)
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def select_crystal_symmetry(

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