Package org.openscience.cdk.rinchi

Class RInChIOptions

java.lang.Object

org.openscience.cdk.rinchi.RInChIOptions

public final class RInChIOptions
extends Object

Options for RInChI processing.

A builder is used to put together the desired options:

 // default options use a 5000 msec timeout per reaction component
 RInChIOptions optionsDefault = RInChIOptions.builder().build();

 // the timeout can also be specified
 RInChIOptions optionsWithTimeout = RInChIOptions.builder().timeoutMillisecondsPerComponent(5000).build();
 

Author:

Uli Fechner

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	RInChIOptions.RInChIOptionBuilder	Builder class for constructing instances of RInChIOptions with customized settings.

Field Summary

Fields

Modifier and Type	Field	Description
static final RInChIOptions	DEFAULT_OPTIONS	Default configuration for RInChI processing options with a timeout of 5000 milliseconds per reaction component.

Method Summary

Modifier and Type	Method	Description
static RInChIOptions.RInChIOptionBuilder	builder()	Returns a RInChIOptionBuilder.
long	getTimeoutMillisecondsPerComponent()	Retrieves the timeout value in milliseconds that is set for processing each reaction component.
boolean	hasTimeout()	Checks if a timeout is set for the components.
boolean	isForceEquilibrium()	Determines whether the force equilibrium option is enabled.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Details

DEFAULT_OPTIONS

public static final RInChIOptions DEFAULT_OPTIONS

Default configuration for RInChI processing options with a timeout of 5000 milliseconds per reaction component.

Method Details

isForceEquilibrium

public boolean isForceEquilibrium()

Determines whether the force equilibrium option is enabled.

Returns:

true if force equilibrium is enabled, false otherwise.

hasTimeout

public boolean hasTimeout()

Checks if a timeout is set for the components.

Returns:

true if a timeout is set, false if there is no timeout.

getTimeoutMillisecondsPerComponent

public long getTimeoutMillisecondsPerComponent()

Retrieves the timeout value in milliseconds that is set for processing each reaction component. A value of NO_TIMEOUT indicates no timeout is.

Returns:

timeout in milliseconds for each reaction component

builder

public static RInChIOptions.RInChIOptionBuilder builder()

Returns a RInChIOptionBuilder.

Returns:

new RInChIOptionBuilder instance for building RInChIOptions with custom settings