denoptim.molecularmodeling.ThreeDimTreeBuilderTest Class Reference

Unit test for TreeBuilder3D. More...

Public Member Functions
void	testConversionTo3dTree () throws Exception
void	testConversionTo3dTreeWithDisconnectedGraphs () throws Exception

Detailed Description

Unit test for TreeBuilder3D.

Author

Marco Foscato

Definition at line 60 of file ThreeDimTreeBuilderTest.java.

Member Function Documentation

testConversionTo3dTree()

void denoptim.molecularmodeling.ThreeDimTreeBuilderTest.testConversionTo3dTree

(

)

throws Exception

Definition at line 66 of file ThreeDimTreeBuilderTest.java.

References denoptim.graph.EmptyVertex.addAP(), denoptim.graph.Fragment.addAP(), denoptim.graph.Fragment.addAtom(), denoptim.graph.Fragment.addBond(), denoptim.graph.DGraph.addEdge(), denoptim.graph.DGraph.addRing(), denoptim.graph.DGraph.addVertex(), denoptim.molecularmodeling.ThreeDimTreeBuilder.convertGraphTo3DAtomContainer(), denoptim.graph.Vertex.BBType.FRAGMENT, denoptim.graph.Vertex.getAP(), denoptim.graph.APClass.make(), denoptim.graph.Vertex.newVertexFromLibrary(), denoptim.graph.Fragment.projectAPsToProperties(), denoptim.graph.APClass.RCACLASSMINUS, denoptim.graph.APClass.RCACLASSPLUS, denoptim.graph.Vertex.BBType.SCAFFOLD, denoptim.fragspace.FragmentSpace.setAPclassBasedApproach(), and denoptim.graph.Edge.BondType.SINGLE.

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testConversionTo3dTreeWithDisconnectedGraphs()

void denoptim.molecularmodeling.ThreeDimTreeBuilderTest.testConversionTo3dTreeWithDisconnectedGraphs

(

)

throws Exception

Definition at line 314 of file ThreeDimTreeBuilderTest.java.

References denoptim.graph.Fragment.addAP(), denoptim.graph.Fragment.addAtom(), denoptim.graph.Fragment.addBond(), denoptim.graph.DGraph.addEdge(), denoptim.graph.DGraph.addVertex(), denoptim.graph.Vertex.BBType.CAP, denoptim.graph.Fragment.clone(), denoptim.molecularmodeling.ThreeDimTreeBuilder.convertGraphTo3DAtomContainer(), denoptim.graph.Edge.BondType.DOUBLE, denoptim.graph.Vertex.BBType.FRAGMENT, denoptim.graph.Vertex.getAP(), denoptim.utils.MoleculeUtils.getDimensions(), denoptim.graph.APClass.make(), denoptim.graph.Fragment.projectAPsToProperties(), denoptim.graph.Vertex.BBType.SCAFFOLD, denoptim.graph.Vertex.setBuildingBlockType(), denoptim.graph.Vertex.setVertexId(), and denoptim.graph.Edge.BondType.SINGLE.

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The documentation for this class was generated from the following file:

• /github/workspace/src/test/java/denoptim/molecularmodeling/ThreeDimTreeBuilderTest.java