Enum AllRingsFinder.Threshold

  • All Implemented Interfaces:
    Serializable, Comparable<AllRingsFinder.Threshold>
    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:
    AllRingsFinder, Sport Edition
    • 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.
    • Enum Constant Detail

      • 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 Detail

      • values

        public static AllRingsFinder.Threshold[] values()
        Returns an array containing the constants of this enum type, in the order they are declared. This method may be used to iterate over the constants as follows:
        for (AllRingsFinder.Threshold c : AllRingsFinder.Threshold.values())
            System.out.println(c);
        
        Returns:
        an array containing the constants of this enum type, in the order they are declared
      • valueOf

        public static AllRingsFinder.Threshold valueOf​(String name)
        Returns the enum constant of this type with the specified name. The string must match exactly an identifier used to declare an enum constant in this type. (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 type has no constant with the specified name
        NullPointerException - if the argument is null