Class ChemCompConverter


  • public class ChemCompConverter
    extends java.lang.Object
    Convert CifFiles to chem comps.
    Since:
    6.0.0
    Author:
    Sebastian Bittrich
    • Constructor Detail

      • ChemCompConverter

        public ChemCompConverter()
    • Method Detail

      • fromPath

        public static ChemicalComponentDictionary fromPath​(java.nio.file.Path path)
                                                    throws java.io.IOException
        Read data from a file and convert to chem comp dictionary.
        Parameters:
        path - the source of information - can be gzipped or binary or text data
        Returns:
        the target
        Throws:
        java.io.IOException
      • fromURL

        public static ChemicalComponentDictionary fromURL​(java.net.URL url)
                                                   throws java.io.IOException
        Get data from a URL and convert to chem comp dictionary.
        Parameters:
        url - the source of information - can be gzipped or binary or text data
        Returns:
        the target
        Throws:
        java.io.IOException - thrown when reading fails
      • fromCifFile

        public static ChemicalComponentDictionary fromCifFile​(org.rcsb.cif.model.CifFile cifFile)
        Convert CifFile to chem comp dictionary.
        Parameters:
        cifFile - the source
        Returns:
        the target