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DENOPTIM
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Unit test for PathSubGraph. More...
Public Member Functions | |
void | testMakePathSubGraph () throws Exception |
Static Public Member Functions | |
static DGraph | makeTestGraphA () throws DENOPTIMException |
Build a graph meant to be used in unit tests. More... | |
static DGraph | makeTestGraphB () throws DENOPTIMException |
Build a graph meant to be used in unit tests. More... | |
Unit test for PathSubGraph.
Definition at line 53 of file PathSubGraphTest.java.
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static |
Build a graph meant to be used in unit tests.
The returned graph has the following structure:
C-C-C-C N | | / \ RCV--[O-O]--[C--C--C]--[N---N]--RCV
DENOPTIMException |
Definition at line 69 of file PathSubGraphTest.java.
References denoptim.graph.Fragment.addAP(), denoptim.graph.DGraph.addEdge(), denoptim.graph.DGraph.addVertex(), denoptim.graph.Vertex.BBType.FRAGMENT, denoptim.graph.Vertex.getAP(), denoptim.graph.APClass.make(), denoptim.graph.Vertex.setAsRCV(), and denoptim.graph.Edge.BondType.SINGLE.
Referenced by denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph().
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static |
Build a graph meant to be used in unit tests.
The returned graph has the following structure:
RCV--[O]--[C]--[N]--RCV
DENOPTIMException |
Definition at line 180 of file PathSubGraphTest.java.
References denoptim.graph.Fragment.addAP(), denoptim.graph.DGraph.addEdge(), denoptim.graph.DGraph.addVertex(), denoptim.graph.Vertex.BBType.FRAGMENT, denoptim.graph.Vertex.getAP(), denoptim.graph.APClass.make(), denoptim.graph.Vertex.setAsRCV(), and denoptim.graph.Edge.BondType.SINGLE.
Referenced by denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph().
void denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph | ( | ) | throws Exception |
Definition at line 260 of file PathSubGraphTest.java.
References denoptim.molecularmodeling.ThreeDimTreeBuilder.convertGraphTo3DAtomContainer(), denoptim.graph.rings.PathSubGraph.getMolecularRepresentation(), denoptim.graph.DGraph.getVertexAtPosition(), denoptim.graph.rings.PathSubGraph.makeMolecularRepresentation(), denoptim.graph.rings.PathSubGraphTest.makeTestGraphA(), denoptim.graph.rings.PathSubGraphTest.makeTestGraphB(), and denoptim.molecularmodeling.ThreeDimTreeBuilder.setAlignBBsIn3D().