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Use unaligning vertex in Linear polymer #393

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andrewtarzia
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Related Issues: #156
Requested Reviewers: @lukasturcani
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This PR makes no changes visible to the user but allows the user to place molecules like BrCBr on the polymer.linear topology graph using UnaligningVertex. This is handled by the Linear initializer when defining vertices (all vertices with building blocks that only have one placer are converted to a UnaligningVertex - same as in Cof and Cage).

  • src/stk/molecular/topology_graphs/polymer/linear/linear.py:_get_building_block_vertices: Added a check for whether each vertex should be an UnaligningVertex.

  • src/stk/molecular/topology_graphs/polymer/linear/vertices.py:UnaligningVertex: Added new init class method.

Two new tests added for vertex and molecule fixture.

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@lukasturcani lukasturcani merged commit 5987b0a into lukasturcani:master Sep 1, 2021
@andrewtarzia andrewtarzia deleted the unaligning_linear_vertex3 branch September 1, 2021 20:24
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