Package net.sf.jniinchi
Enum Class INCHI_OPTION
- All Implemented Interfaces:
Serializable
,Comparable<INCHI_OPTION>
,Constable
Type-safe enumeration of InChI options. See inchi_api.h.
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Nested Class Summary
Nested classes/interfaces inherited from class java.lang.Enum
Enum.EnumDesc<E extends Enum<E>>
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Enum Constant Summary
Enum ConstantsEnum ConstantDescriptionOmit auxiliary information (default: Include).Set Not-Chiral Flag.Set Chiral Flag.Compressed output.Overrides inchi_Atom::num_iso_H[0] == -1.Same as FixSp3Bug.Mobile H Perception Off (Default: On).Fix bug leading to missing or undefined sp3 parity.Narrow end of wedge points to stereocentre (default: both).Disable Aggressive Deprotonation (for testing only).Output SDfile instead of InChI.Include reconnected bond to metal results.Absolute stereo.Include Arsines StereochemistryExclude stereo (Default: Include Absolute stereo).Include Phosphines Stereochemistry.Racemic stereo.Relative stereo.Use Chiral Flag.Include omitted unknown/undefined stereo.Warn and produce empty InChI for empty structure.Set time-out per structure in seconds; W0 means unlimited. -
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionstatic INCHI_OPTION
Returns the enum constant of this class with the specified name.static INCHI_OPTION
valueOfIgnoreCase
(String string) static INCHI_OPTION[]
values()
Returns an array containing the constants of this enum class, in the order they are declared.
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Enum Constant Details
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SUCF
Use Chiral Flag. -
ChiralFlagON
Set Chiral Flag. -
ChiralFlagOFF
Set Not-Chiral Flag. -
SNon
Exclude stereo (Default: Include Absolute stereo). -
SAbs
Absolute stereo. -
SRel
Relative stereo. -
SRac
Racemic stereo. -
SUU
Include omitted unknown/undefined stereo. -
NEWPS
Narrow end of wedge points to stereocentre (default: both). -
RecMet
Include reconnected bond to metal results. -
FixedH
Mobile H Perception Off (Default: On). -
AuxNone
Omit auxiliary information (default: Include). -
NoADP
Disable Aggressive Deprotonation (for testing only). -
Compress
Compressed output. -
DoNotAddH
Overrides inchi_Atom::num_iso_H[0] == -1. -
Wnumber
Set time-out per structure in seconds; W0 means unlimited. In InChI library the default value is unlimited -
OutputSDF
Output SDfile instead of InChI. -
WarnOnEmptyStructure
Warn and produce empty InChI for empty structure. -
FixSp3Bug
Fix bug leading to missing or undefined sp3 parity. -
FB
Same as FixSp3Bug. -
SPXYZ
Include Phosphines Stereochemistry. -
SAsXYZ
Include Arsines Stereochemistry
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Constructor Details
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INCHI_OPTION
private INCHI_OPTION()
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Method Details
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values
Returns an array containing the constants of this enum class, in the order they are declared.- Returns:
- an array containing the constants of this enum class, in the order they are declared
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valueOf
Returns the enum constant of this class with the specified name. The string must match exactly an identifier used to declare an enum constant in this class. (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 class has no constant with the specified nameNullPointerException
- if the argument is null
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valueOfIgnoreCase
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