Package org.openscience.cdk.ringsearch

Enum Class AllRingsFinder.Threshold

java.lang.Object
java.lang.Enum<AllRingsFinder.Threshold>
org.openscience.cdk.ringsearch.AllRingsFinder.Threshold
All Implemented Interfaces:
Serializable, Comparable<AllRingsFinder.Threshold>, java.lang.constant.Constable
Enclosing class:
AllRingsFinder
public static enum AllRingsFinder.Threshold extends Enum<AllRingsFinder.Threshold>
The threshold values provide a limit at which the computation stops. There will always be some ring systems in which we cannot compute every possible ring (e.g. Fullerenes). This limit replaces the previous timeout and provides a more meaningful measure of what to expect based on precomputed percentiles. It is important to consider that, higher is not always better - generally the large values generate many more rings then can be reasonably be handled.
The latest results were calculated on PubChem Compound (Dec' 12) and summarised below.
Table 1. Num of structures processable in PubChem Compound (Dec 2012) as a result of setting the max degree
Maximum DegreePercent (%)Completed
(ring systems)		Uncompleted
(ring systems)
 
7299.95178340138835
8499.96178358766972
12699.97178376925156
21699.98178392933555
68499.99 (default)178410651783
 
88299.991178413421506
106299.992178414291419
144099.993178416021246
307299.994178417891059
See Also:

  • Nested Class Summary

    Nested classes/interfaces inherited from class java.lang.Enum

    Enum.EnumDesc<E extends Enum<E>>

  • Enum Constant Summary

    Enum Constants
    Enum Constant
    Description
    None
    Run without any threshold, possibly until the end of time itself.
    PubChem_95
    Based on PubChem Compound (Dec '12), perception will complete for 99.95% of ring systems.
    PubChem_96
    Based on PubChem Compound (Dec '12), perception will complete for 99.96% of ring systems.
    PubChem_97
    Based on PubChem Compound (Dec '12), perception will complete for 99.97% of ring systems.
    PubChem_98
    Based on PubChem Compound (Dec '12), perception will complete for 99.98% of ring systems.
    PubChem_99
    Based on PubChem Compound (Dec '12), perception will complete for 99.99% of ring systems.
    PubChem_991
    Based on PubChem Compound (Dec '12), perception will complete for 99.991% of ring systems.
    PubChem_992
    Based on PubChem Compound (Dec '12), perception will complete for 99.992% of ring systems.
    PubChem_993
    Based on PubChem Compound (Dec '12), perception will complete for 99.993% of ring systems.
    PubChem_994
    Based on PubChem Compound (Dec '12), perception will complete for 99.994% of ring systems.

  • Method Summary

    Modifier and Type
    Method
    Description
    static AllRingsFinder.Threshold
    valueOf(String name)
    Returns the enum constant of this class with the specified name.
    static AllRingsFinder.Threshold[]
    values()
    Returns an array containing the constants of this enum class, in the order they are declared.

    Methods inherited from class java.lang.Enum

    clone, compareTo, describeConstable, equals, finalize, getDeclaringClass, hashCode, name, ordinal, toString, valueOf

    Methods inherited from class java.lang.Object

    getClass, notify, notifyAll, wait, wait, wait

  • Enum Constant Details

    • PubChem_95

      public static final AllRingsFinder.Threshold PubChem_95
      Based on PubChem Compound (Dec '12), perception will complete for 99.95% of ring systems.

    • PubChem_96

      public static final AllRingsFinder.Threshold PubChem_96
      Based on PubChem Compound (Dec '12), perception will complete for 99.96% of ring systems.

    • PubChem_97

      public static final AllRingsFinder.Threshold PubChem_97
      Based on PubChem Compound (Dec '12), perception will complete for 99.97% of ring systems.

    • PubChem_98

      public static final AllRingsFinder.Threshold PubChem_98
      Based on PubChem Compound (Dec '12), perception will complete for 99.98% of ring systems.

    • PubChem_99

      public static final AllRingsFinder.Threshold PubChem_99
      Based on PubChem Compound (Dec '12), perception will complete for 99.99% of ring systems.

    • PubChem_991

      public static final AllRingsFinder.Threshold PubChem_991
      Based on PubChem Compound (Dec '12), perception will complete for 99.991% of ring systems.

    • PubChem_992

      public static final AllRingsFinder.Threshold PubChem_992
      Based on PubChem Compound (Dec '12), perception will complete for 99.992% of ring systems.

    • PubChem_993

      public static final AllRingsFinder.Threshold PubChem_993
      Based on PubChem Compound (Dec '12), perception will complete for 99.993% of ring systems.

    • PubChem_994

      public static final AllRingsFinder.Threshold PubChem_994
      Based on PubChem Compound (Dec '12), perception will complete for 99.994% of ring systems.

    • None

      public static final AllRingsFinder.Threshold None
      Run without any threshold, possibly until the end of time itself.

  • Method Details

    • values

      public static AllRingsFinder.Threshold[] values()
      Returns an array containing the constants of this enum class, in the order they are declared.
      Returns:
      an array containing the constants of this enum class, in the order they are declared

    • valueOf

      public static AllRingsFinder.Threshold valueOf(String name)
      Returns the enum constant of this class with the specified name. The string must match exactly an identifier used to declare an enum constant in this class. (Extraneous whitespace characters are not permitted.)
      Parameters:
      name - the name of the enum constant to be returned.
      Returns:
      the enum constant with the specified name
      Throws:
      IllegalArgumentException - if this enum class has no constant with the specified name
      NullPointerException - if the argument is null