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
  • Field Details

  • Constructor Details

    • 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
  • Method Details