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CLI crashes on 5xnl doing graph contraction #196

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josemduarte opened this issue Oct 5, 2017 · 1 comment
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CLI crashes on 5xnl doing graph contraction #196

josemduarte opened this issue Oct 5, 2017 · 1 comment
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@josemduarte
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josemduarte commented Oct 5, 2017

The stack trace:

java.lang.IllegalArgumentException: no such vertex in graph: m_0
        at org.jgrapht.graph.AbstractGraph.assertVertexExist(AbstractGraph.java:132)
        at org.jgrapht.graph.AbstractBaseGraph.edgesOf(AbstractBaseGraph.java:338)
        at eppic.assembly.GraphContractor.contractInterfaceCluster(GraphContractor.java:123)
        at eppic.assembly.GraphContractor.contract(GraphContractor.java:241)
        at eppic.assembly.LatticeGraph.contractGraph(LatticeGraph.java:466)
        at eppic.assembly.CrystalAssemblies.init(CrystalAssemblies.java:124)
        at eppic.assembly.CrystalAssemblies.<init>(CrystalAssemblies.java:94)
        at eppic.Main.doFindAssemblies(Main.java:366)
        at eppic.Main.run(Main.java:948)
        at eppic.Main.run(Main.java:913)
        at eppic.Main.main(Main.java:887)

Also happens for 5xnm

@josemduarte josemduarte added the bug label Oct 5, 2017
@josemduarte josemduarte added this to the 3.0.3 milestone Oct 5, 2017
@josemduarte
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A simpler example where this also happens: 1kbu

There's another 124 cases across the PDB right now

josemduarte added a commit that referenced this issue Oct 7, 2017
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