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DENOPTIM
Public Member Functions | Static Public Member Functions | List of all members
denoptim.graph.rings.PathSubGraphTest Class Reference

Unit test for PathSubGraph. More...

Public Member Functions

void testMakePathSubGraph_sameVrtx () throws Exception
 
void testMakePathSubGraph_sameBranch () throws Exception
 
void testMakePathSubGraph_differentBranch () throws Exception
 
void testMakePathSubGraph_givenAdjacency () throws Exception
 
void testMakePathSubGraph_withIAC () 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...
 

Detailed Description

Unit test for PathSubGraph.

Author
Marco Foscato

Definition at line 65 of file PathSubGraphTest.java.

Member Function Documentation

◆ makeTestGraphA()

static DGraph denoptim.graph.rings.PathSubGraphTest.makeTestGraphA ( ) throws DENOPTIMException
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
Returns
a new instance of the test graph.
Exceptions
DENOPTIMException

Definition at line 81 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_sameBranch(), denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph_sameVrtx(), and denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph_withIAC().

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◆ makeTestGraphB()

static DGraph denoptim.graph.rings.PathSubGraphTest.makeTestGraphB ( ) throws DENOPTIMException
static

Build a graph meant to be used in unit tests.

The returned graph has the following structure: 

RCV--[O]--[C]--[N]--RCV
Returns
a new instance of the test graph.
Exceptions
DENOPTIMException

Definition at line 193 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_withIAC().

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◆ testMakePathSubGraph_differentBranch()

void denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph_differentBranch ( ) throws Exception

Definition at line 310 of file PathSubGraphTest.java.

References denoptim.graph.rings.PathSubGraph.getVertecesPath(), denoptim.graph.DGraph.getVertexAtPosition(), denoptim.graph.DGraphTest.makeTestGraphO_B(), and denoptim.graph.DGraphTest.prepare().

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◆ testMakePathSubGraph_givenAdjacency()

void denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph_givenAdjacency ( ) throws Exception

Definition at line 325 of file PathSubGraphTest.java.

References denoptim.graph.EmptyVertex.addAP(), denoptim.graph.DGraph.addEdge(), denoptim.graph.DGraph.addVertex(), denoptim.graph.Edge.BondType.DOUBLE, denoptim.graph.Vertex.getAP(), denoptim.graph.rings.PathSubGraph.getEdgesPath(), denoptim.graph.rings.PathSubGraph.getVertecesPath(), denoptim.graph.DGraph.getVertexAtPosition(), denoptim.graph.APClass.make(), denoptim.graph.Edge.BondType.SINGLE, and denoptim.graph.Edge.BondType.TRIPLE.

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◆ testMakePathSubGraph_sameBranch()

void denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph_sameBranch ( ) throws Exception

Definition at line 275 of file PathSubGraphTest.java.

References denoptim.graph.rings.PathSubGraph.getEdgesPath(), denoptim.graph.rings.PathSubGraph.getVertecesPath(), denoptim.graph.DGraph.getVertexAtPosition(), and denoptim.graph.rings.PathSubGraphTest.makeTestGraphA().

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◆ testMakePathSubGraph_sameVrtx()

void denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph_sameVrtx ( ) throws Exception

Definition at line 259 of file PathSubGraphTest.java.

References denoptim.graph.rings.PathSubGraph.getVertecesPath(), denoptim.graph.DGraph.getVertexAtPosition(), and denoptim.graph.rings.PathSubGraphTest.makeTestGraphA().

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◆ testMakePathSubGraph_withIAC()

void denoptim.graph.rings.PathSubGraphTest.testMakePathSubGraph_withIAC ( ) throws Exception

Definition at line 424 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().

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