chemaxon.sss.search.options

Enum MarkushAromaticityHandlingOption

java.lang.Object

java.lang.Enum<MarkushAromaticityHandlingOption>

chemaxon.sss.search.options.MarkushAromaticityHandlingOption

All Implemented Interfaces:

chemaxon.sss.search.options.HasOptionString, java.io.Serializable, java.lang.Comparable<MarkushAromaticityHandlingOption>

@PublicAPI
 @Beta
public enum MarkushAromaticityHandlingOption
extends java.lang.Enum<MarkushAromaticityHandlingOption>
implements chemaxon.sss.search.options.HasOptionString

Option type describing the way aromaticity is handled in Markush structures.

Author:

Robert Wagner

Enum Constant Summary

Enum Constants

Enum Constant and Description
ALL_MATCH_AMBIG Ambiguous aromatic parts of the target Markush structure can be matched by aliphatic and aromatic forms as well.
KEKULE_MATCH_AMBIG Ambiguous aromatic parts are not aromatized in the target Markush structures.
MATCH_AMBIG_IF_POSSIBLE Ambiguous aromatic parts can be matched by a query if it has the same aromaticity as the target Markush structure considering its reduction (enumeration) according to the hit candidate.

Field Summary

Fields

Modifier and Type	Field and Description
static java.lang.String	OPTION_NAME_STRING

Method Summary

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

Methods inherited from class java.lang.Object

getClass, notify, notifyAll, wait, wait, wait

Enum Constant Detail

MATCH_AMBIG_IF_POSSIBLE

public static final MarkushAromaticityHandlingOption MATCH_AMBIG_IF_POSSIBLE

Ambiguous aromatic parts can be matched by a query if it has the same aromaticity as the target Markush structure considering its reduction (enumeration) according to the hit candidate.

This option results in the most accurate search behavior, but it may be (much) slower than using the other options in case of particular Markush structures with ambiguous aromatic parts.

KEKULE_MATCH_AMBIG

public static final MarkushAromaticityHandlingOption KEKULE_MATCH_AMBIG

Ambiguous aromatic parts are not aromatized in the target Markush structures. That is, these ambiguous rings can only be matched if corresponding query parts have the same aliphatic bonds and they cannot be aromatized.

This option can result in false negative search results, i.e. an actual hit may not be found.

ALL_MATCH_AMBIG

public static final MarkushAromaticityHandlingOption ALL_MATCH_AMBIG

Ambiguous aromatic parts of the target Markush structure can be matched by aliphatic and aromatic forms as well.

This option can result in false positive search results, i.e. an incorrect hit may be found.

Field Detail

OPTION_NAME_STRING

public static final java.lang.String OPTION_NAME_STRING

See Also:

Constant Field Values

Method Detail

values

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

Returns:

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

valueOf

public static MarkushAromaticityHandlingOption 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

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Enum<MarkushAromaticityHandlingOption>

getOptionString

public java.lang.String getOptionString()

Specified by:

getOptionString in interface chemaxon.sss.search.options.HasOptionString