Package org.openscience.cdk.rinchi
Class RInChIOptions.RInChIOptionBuilder
- java.lang.Object
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- org.openscience.cdk.rinchi.RInChIOptions.RInChIOptionBuilder
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- Enclosing class:
- RInChIOptions
public static class RInChIOptions.RInChIOptionBuilder extends Object
Builder class for constructing instances of RInChIOptions with customized settings.
Default values areforceEquilibrium
: falsetimeout
: not specified
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description RInChIOptions
build()
Creates an instance ofRInChIOptions
using the configuration of this {code }RInChIOptionBuilder}.RInChIOptions.RInChIOptionBuilder
forceEquilibrium(boolean forceEquilibrium)
Sets the option to force equilibrium processing in the RInChIOptions.RInChIOptions.RInChIOptionBuilder
timeoutMillisecondsPerComponent(long timeoutMillisecondsPerComponent)
Sets the timeout in milliseconds for processing each reaction component in this RInChIOptions.
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Method Detail
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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
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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
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build
public RInChIOptions build()
Creates an instance ofRInChIOptions
using the configuration of this {code }RInChIOptionBuilder}.- Returns:
- new RInChIOptions instance
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