org.openscience.cdk.ringsearch

Enum AllRingsFinder.Threshold

java.lang.Object

java.lang.Enum<AllRingsFinder.Threshold>

org.openscience.cdk.ringsearch.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 Degree	Percent (%)	Completed (ring systems)	Uncompleted (ring systems)
72	99.95	17834013	8835
84	99.96	17835876	6972
126	99.97	17837692	5156
216	99.98	17839293	3555
684	99.99 (default)	17841065	1783
882	99.991	17841342	1506
1062	99.992	17841429	1419
1440	99.993	17841602	1246
3072	99.994	17841789	1059

See Also:

AllRingsFinder, Sport Edition

Enum Constant Summary

Enum Constants

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

Methods inherited from class java.lang.Enum

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

Methods inherited from class java.lang.Object

getClass, notify, notifyAll, wait, wait, wait

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