Name | Description | Type | Package | Framework |
EdgeBuilder | Class for building/storing edges (bonds) in the graph with bond query capabilities. | Class | org.openscience.cdk.smsd.algorithm.vflib.builder | CDK |
IEdge | Interface for the Edges (bonds) in graph. | Interface | org.openscience.cdk.smsd.algorithm.vflib.interfaces | CDK |
IMapper | Interface for the mappings (mapped objects). | Interface | org.openscience.cdk.smsd.algorithm.vflib.interfaces | CDK |
INode | Interface for the Node (atomss) in graph. | Interface | org.openscience.cdk.smsd.algorithm.vflib.interfaces | CDK |
IQuery | Interface for the query molecule/graph. | Interface | org.openscience.cdk.smsd.algorithm.vflib.interfaces | CDK |
IQueryCompiler | Interface for the query graph generator. | Interface | org.openscience.cdk.smsd.algorithm.vflib.interfaces | CDK |
IState | Interface for the storing the states of the mapping in the VF algorithm. | Interface | org.openscience.cdk.smsd.algorithm.vflib.interfaces | CDK |
Match | Holds matching query and target nodes. | Class | org.openscience.cdk.smsd.algorithm.vflib.map | CDK |
NodeBuilder | Class for building/storing nodes (atoms) in the graph with atom query capabilities. | Class | org.openscience.cdk.smsd.algorithm.vflib.builder | CDK |
QueryCompiler | This class creates an template for MCS/substructure query. | Class | org.openscience.cdk.smsd.algorithm.vflib.query | CDK |
TargetProperties | Class for building/storing nodes (atoms) in the graph with atom query capabilities. | Class | org.openscience.cdk.smsd.algorithm.vflib.builder | CDK |
VFlibMCSHandler | This class should be used to find MCS between query graph and target graph. | Class | org.openscience.cdk.smsd.algorithm.vflib | CDK |
VFlibSubStructureHandler | This is an ultra fast method to report if query is a substructure for target molecule. | Class | org.openscience.cdk.smsd.algorithm.vflib | CDK |
VFlibTurboHandler | This is an ultra fast method to report if query is a substructure for target molecule. | Class | org.openscience.cdk.smsd.algorithm.vflib | CDK |
VFMapper | This class finds MCS between query and target molecules using VF2 algorithm. | Class | org.openscience.cdk.smsd.algorithm.vflib.map | CDK |
VFMCSMapper | This class finds MCS between query and target molecules using VF2 algorithm. | Class | org.openscience.cdk.smsd.algorithm.vflib.map | CDK |
VFQueryBuilder | Class for parsing and generating query graph. | Class | org.openscience.cdk.smsd.algorithm.vflib.builder | CDK |
VFState | This class finds mapping states between query and targetAuthor:Syed Asad Rahman | Class | org.openscience.cdk.smsd.algorithm.vflib.map | CDK |