Package org.openscience.cdk.rinchi

Class RInChIOptions.RInChIOptionBuilder

java.lang.Object
org.openscience.cdk.rinchi.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 Details

    • 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