Use unaligning vertex in Linear polymer #393
Merged
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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 thepolymer.linear
topology graph usingUnaligningVertex
. 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.