Class RInChIOptions.RInChIOptionBuilder

  • Enclosing class:
    RInChIOptions

    public static class RInChIOptions.RInChIOptionBuilder
    extends Object
    Builder class for constructing instances of RInChIOptions with customized settings.
    Default values are
    • forceEquilibrium: false
    • timeout: not specified
    • Method Detail

      • forceEquilibrium

        public RInChIOptions.RInChIOptionBuilder forceEquilibrium​(boolean forceEquilibrium)
        Sets the option to force equilibrium processing in the RInChIOptions.
        Parameters:
        forceEquilibrium - a boolean indicating whether to force equilibrium processing
        Returns:
        the current instance of RInChIOptionBuilder
      • timeoutMillisecondsPerComponent

        public RInChIOptions.RInChIOptionBuilder timeoutMillisecondsPerComponent​(long timeoutMillisecondsPerComponent)
        Sets the timeout in milliseconds for processing each reaction component in this RInChIOptions.
        Parameters:
        timeoutMillisecondsPerComponent - the timeout duration for each component, must be zero or positive
        Returns:
        the current instance of RInChIOptionBuilder
        Throws:
        IllegalArgumentException - if the specified timeout is negative
      • build

        public RInChIOptions build()
        Creates an instance of RInChIOptions using the configuration of this {code }RInChIOptionBuilder}.
        Returns:
        new RInChIOptions instance