Package chemaxon.sss.search.options
Enum MarkushAromaticityHandlingOption
- java.lang.Object
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- java.lang.Enum<MarkushAromaticityHandlingOption>
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- chemaxon.sss.search.options.MarkushAromaticityHandlingOption
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- All Implemented Interfaces:
chemaxon.sss.search.options.HasOptionString
,Serializable
,Comparable<MarkushAromaticityHandlingOption>
@PublicAPI @Beta public enum MarkushAromaticityHandlingOption extends Enum<MarkushAromaticityHandlingOption> implements chemaxon.sss.search.options.HasOptionString
Option type describing the way aromaticity is handled in Markush structures.
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Enum Constant Summary
Enum Constants Enum Constant 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.
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Field Summary
Fields Modifier and Type Field Description static String
OPTION_NAME_STRING
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description String
getOptionString()
String
toString()
static MarkushAromaticityHandlingOption
valueOf(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.
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Enum Constant Detail
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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.
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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.
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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.
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Field Detail
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OPTION_NAME_STRING
public static final String OPTION_NAME_STRING
- See Also:
- Constant Field Values
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Method Detail
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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
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valueOf
public static MarkushAromaticityHandlingOption 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 nameNullPointerException
- if the argument is null
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toString
public String toString()
- Overrides:
toString
in classEnum<MarkushAromaticityHandlingOption>
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getOptionString
public String getOptionString()
- Specified by:
getOptionString
in interfacechemaxon.sss.search.options.HasOptionString
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