Class QueryCompiler

java.lang.Object
org.openscience.cdk.smsd.algorithm.vflib.query.QueryCompiler
All Implemented Interfaces:
IQueryCompiler

@Deprecated public class QueryCompiler extends Object implements IQueryCompiler
Deprecated.
SMSD has been deprecated from the CDK with a newer, more recent version of SMSD is available at http://github.com/asad/smsd.
This class creates an template for MCS/substructure query.
Author:
Syed Asad Rahman <asad@ebi.ac.uk>
Source code:
main
Belongs to CDK module:
smsd
  • Constructor Details

    • QueryCompiler

      public QueryCompiler(IAtomContainer molecule, boolean shouldMatchBonds)
      Deprecated.
      Construct query object from the molecule
      Parameters:
      molecule -
      shouldMatchBonds -
    • QueryCompiler

      public QueryCompiler(IQueryAtomContainer molecule)
      Deprecated.
      Construct query object from the molecule
      Parameters:
      molecule -
  • Method Details

    • compile

      public IQuery compile()
      Deprecated.
      Parse and build a query graph from the query moleucle.
      Specified by:
      compile in interface IQueryCompiler
      Returns:
      compile the query molecule and build the graph.