com.chemaxon.search.mcs

Enum RingHandlingMode

java.lang.Object

java.lang.Enum<RingHandlingMode>

com.chemaxon.search.mcs.RingHandlingMode

All Implemented Interfaces:

java.io.Serializable, java.lang.Comparable<RingHandlingMode>

@PublicAPI
public enum RingHandlingMode
extends java.lang.Enum<RingHandlingMode>

Enum type for the ring handling modes of MaxCommonSubstructure (MCS) algorithms. It controls whether ring bonds can match ring bonds only, or whether rings can be broken.

Author:

Peter Englert

See Also:

McsSearchOptions.Builder.ringHandlingMode(RingHandlingMode)

Enum Constant Summary

Enum Constants

Enum Constant and Description
IGNORE This option ignores the ring/chain topology of bonds, which is the default behavior.
KEEP_RINGS This option specifies that rings should not be broken.
MATCH_RING_BONDS This option allows the algorithm to match a query and a target bond only if both are in rings or both are in chains.

Method Summary

Modifier and Type	Method and Description
static RingHandlingMode	valueOf(java.lang.String name) Returns the enum constant of this type with the specified name.
static RingHandlingMode[]	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

IGNORE

public static final RingHandlingMode IGNORE

This option ignores the ring/chain topology of bonds, which is the default behavior.

MATCH_RING_BONDS

public static final RingHandlingMode MATCH_RING_BONDS

This option allows the algorithm to match a query and a target bond only if both are in rings or both are in chains.

Note that only rings smaller than a specified size limit are considered for this purpose. Bonds which are only part of rings larger than this limit will be handled as chain bonds. See McsSearchOptions.Builder.maxConsideredRingSize(int).

KEEP_RINGS

public static final RingHandlingMode KEEP_RINGS

This option specifies that rings should not be broken. If a bond in the query or the target is part of a ring, it should be part of a ring in the found common substructure too.

Note that only rings smaller than a specified size limit are considered for this purpose. Bonds which are only part of rings larger than this limit will be handled as chain bonds. See McsSearchOptions.Builder.maxConsideredRingSize(int).

Method Detail

values

public static RingHandlingMode[] 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 (RingHandlingMode c : RingHandlingMode.values())
    System.out.println(c);

Returns:

an array containing the constants of this enum type, in the order they are declared

valueOf

public static RingHandlingMode valueOf(java.lang.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:

java.lang.IllegalArgumentException - if this enum type has no constant with the specified name

java.lang.NullPointerException - if the argument is null