Class LDParameters


  • @PublicAPI
    public class LDParameters
    extends SDParameters
    Manages parameters for the LogD scalar descriptor class. The native format of the parameter configuration is XML.
    Since:
    JChem 2.2
    • Constructor Detail

      • LDParameters

        public LDParameters()
        Creates an empty object. Initializes parameters to default values.
      • LDParameters

        public LDParameters​(File configFile)
                     throws MDParametersException
        Creates a new object based on a given configuration file.
        Parameters:
        configFile - XML configuration file
        Throws:
        MDParametersException - missing or bad XML configuration
      • LDParameters

        public LDParameters​(String XMLconfig)
                     throws MDParametersException
        Creates a new object based on a given configuration string.
        Parameters:
        XMLconfig - XML configuration string
        Throws:
        MDParametersException - missing or bad XML configuration