Class CDKBasedAtomTypeConfigurator

java.lang.Object
org.openscience.cdk.config.CDKBasedAtomTypeConfigurator
All Implemented Interfaces:
IAtomTypeConfigurator

public class CDKBasedAtomTypeConfigurator extends Object implements IAtomTypeConfigurator
AtomType resource that reads the atom type configuration from an XML file. The format is required to be in the STMML format [Murray-Rust, P. and Rzepa, H.S., STMML. A MARKUP LANGUAGE FOR SCIENTIFIC, TECHNICAL AND MEDICAL PUBLISHING]; examples can be found in CVS in the src/org/openscience/cdk/config/data directory.
Source code:
main
Belongs to CDK module:
core
  • Constructor Details

    • CDKBasedAtomTypeConfigurator

      public CDKBasedAtomTypeConfigurator()
  • Method Details

    • setInputStream

      public void setInputStream(InputStream ins)
      Sets the file containing the configuration data.
      Specified by:
      setInputStream in interface IAtomTypeConfigurator
      Parameters:
      ins - InputStream from which the atom type definitions are to be read
    • readAtomTypes

      public List<IAtomType> readAtomTypes(IChemObjectBuilder builder) throws IOException
      Reads the atom types from the CDK based atom type list.
      Specified by:
      readAtomTypes in interface IAtomTypeConfigurator
      Parameters:
      builder - IChemObjectBuilder used to construct the IAtomType's.
      Returns:
      A List with read IAtomType's.
      Throws:
      IOException - when a problem occurred with reading from the InputStream