Package org.openscience.cdk.rinchi
Class RInChIOptions
- java.lang.Object
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- org.openscience.cdk.rinchi.RInChIOptions
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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
- Source code:
- main
- Belongs to CDK module:
- rinchi
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Nested Class Summary
Nested Classes Modifier and Type Class Description static class
RInChIOptions.RInChIOptionBuilder
Builder class for constructing instances of RInChIOptions with customized settings.
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Field Summary
Fields Modifier and Type Field Description static RInChIOptions
DEFAULT_OPTIONS
Default configuration for RInChI processing options with a timeout of 5000 milliseconds per reaction component.
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods 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.
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Field Detail
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DEFAULT_OPTIONS
public static final RInChIOptions DEFAULT_OPTIONS
Default configuration for RInChI processing options with a timeout of 5000 milliseconds per reaction component.
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Method Detail
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isForceEquilibrium
public boolean isForceEquilibrium()
Determines whether the force equilibrium option is enabled.- Returns:
- true if force equilibrium is enabled, false otherwise.
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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.
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getTimeoutMillisecondsPerComponent
public long getTimeoutMillisecondsPerComponent()
Retrieves the timeout value in milliseconds that is set for processing each reaction component. A value ofNO_TIMEOUT
indicates no timeout is.- Returns:
- timeout in milliseconds for each reaction component
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builder
public static RInChIOptions.RInChIOptionBuilder builder()
Returns a RInChIOptionBuilder.- Returns:
- new RInChIOptionBuilder instance for building RInChIOptions with custom settings
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