Package uk.ac.cam.ch.wwmm.opsin
Enum StereoGroupType
- java.lang.Object
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- java.lang.Enum<StereoGroupType>
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- uk.ac.cam.ch.wwmm.opsin.StereoGroupType
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- All Implemented Interfaces:
java.io.Serializable
,java.lang.Comparable<StereoGroupType>
public enum StereoGroupType extends java.lang.Enum<StereoGroupType>
Indicate if a stereo-center belongs to a certain stereo group type. The group can be specified on theAtomParity
. For formats that support enhanced stereo (currently only CXSMILES) you would normally also have a group number (e.g. Rac1/&1, Rac2/&2, Rac3/&3, etc) however there is currently no way to specify this separation in IUPAC. An extension may be to indicate grouping with parenthesis "(1RS)-,(3RS)-" "((1RS),(3RS))-". However the most common cases of mixed stereo groups are likely to be where part of the structure is known (absolute) and part is racemic/relative which can be specified like this "(1RS,3R)-". The most common cases are all absolute, all racemic (AND enantiomer), all relative (OR enantiomer).
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Enum Constant Summary
Enum Constants Enum Constant Description Abs
Absolute stereochemistry, the configuration of the stereo center is known.Rac
Racemic stereochemistry, the molecule is a mixture of the stereo center.Rel
Relative stereochemistry, the configuration of a stereo center is unknown but may be known relative to another configuration.Unk
Fallback sentinel value to ensure non-null.
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static StereoGroupType
valueOf(java.lang.String name)
Returns the enum constant of this type with the specified name.static StereoGroupType[]
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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Abs
public static final StereoGroupType Abs
Absolute stereochemistry, the configuration of the stereo center is known.
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Rac
public static final StereoGroupType Rac
Racemic stereochemistry, the molecule is a mixture of the stereo center.
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Rel
public static final StereoGroupType Rel
Relative stereochemistry, the configuration of a stereo center is unknown but may be known relative to another configuration.
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Unk
public static final StereoGroupType Unk
Fallback sentinel value to ensure non-null.
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Method Detail
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values
public static StereoGroupType[] 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 (StereoGroupType c : StereoGroupType.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 StereoGroupType 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 namejava.lang.NullPointerException
- if the argument is null
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