Package net.sf.jniinchi
Enum INCHI_OPTION
- java.lang.Object
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- java.lang.Enum<INCHI_OPTION>
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- net.sf.jniinchi.INCHI_OPTION
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- All Implemented Interfaces:
java.io.Serializable
,java.lang.Comparable<INCHI_OPTION>
public enum INCHI_OPTION extends java.lang.Enum<INCHI_OPTION>
Type-safe enumeration of InChI options. See inchi_api.h.
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Enum Constant Summary
Enum Constants Enum Constant Description AuxNone
Omit auxiliary information (default: Include).ChiralFlagOFF
Set Not-Chiral Flag.ChiralFlagON
Set Chiral Flag.Compress
Compressed output.DoNotAddH
Overrides inchi_Atom::num_iso_H[0] == -1.FB
Same as FixSp3Bug.FixedH
Mobile H Perception Off (Default: On).FixSp3Bug
Fix bug leading to missing or undefined sp3 parity.NEWPS
Narrow end of wedge points to stereocentre (default: both).NoADP
Disable Aggressive Deprotonation (for testing only).OutputSDF
Output SDfile instead of InChI.RecMet
Include reconnected bond to metal results.SAbs
Absolute stereo.SAsXYZ
Include Arsines StereochemistrySNon
Exclude stereo (Default: Include Absolute stereo).SPXYZ
Include Phosphines Stereochemistry.SRac
Racemic stereo.SRel
Relative stereo.SUCF
Use Chiral Flag.SUU
Include omitted unknown/undefined stereo.WarnOnEmptyStructure
Warn and produce empty InChI for empty structure.Wnumber
Set time-out per structure in seconds; W0 means unlimited.
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Constructor Summary
Constructors Modifier Constructor Description private
INCHI_OPTION()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static INCHI_OPTION
valueOf(java.lang.String name)
Returns the enum constant of this type with the specified name.static INCHI_OPTION
valueOfIgnoreCase(java.lang.String string)
static INCHI_OPTION[]
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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SUCF
public static final INCHI_OPTION SUCF
Use Chiral Flag.
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ChiralFlagON
public static final INCHI_OPTION ChiralFlagON
Set Chiral Flag.
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ChiralFlagOFF
public static final INCHI_OPTION ChiralFlagOFF
Set Not-Chiral Flag.
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SNon
public static final INCHI_OPTION SNon
Exclude stereo (Default: Include Absolute stereo).
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SAbs
public static final INCHI_OPTION SAbs
Absolute stereo.
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SRel
public static final INCHI_OPTION SRel
Relative stereo.
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SRac
public static final INCHI_OPTION SRac
Racemic stereo.
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SUU
public static final INCHI_OPTION SUU
Include omitted unknown/undefined stereo.
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NEWPS
public static final INCHI_OPTION NEWPS
Narrow end of wedge points to stereocentre (default: both).
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RecMet
public static final INCHI_OPTION RecMet
Include reconnected bond to metal results.
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FixedH
public static final INCHI_OPTION FixedH
Mobile H Perception Off (Default: On).
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AuxNone
public static final INCHI_OPTION AuxNone
Omit auxiliary information (default: Include).
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NoADP
public static final INCHI_OPTION NoADP
Disable Aggressive Deprotonation (for testing only).
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Compress
public static final INCHI_OPTION Compress
Compressed output.
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DoNotAddH
public static final INCHI_OPTION DoNotAddH
Overrides inchi_Atom::num_iso_H[0] == -1.
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Wnumber
public static final INCHI_OPTION Wnumber
Set time-out per structure in seconds; W0 means unlimited. In InChI library the default value is unlimited
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OutputSDF
public static final INCHI_OPTION OutputSDF
Output SDfile instead of InChI.
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WarnOnEmptyStructure
public static final INCHI_OPTION WarnOnEmptyStructure
Warn and produce empty InChI for empty structure.
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FixSp3Bug
public static final INCHI_OPTION FixSp3Bug
Fix bug leading to missing or undefined sp3 parity.
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FB
public static final INCHI_OPTION FB
Same as FixSp3Bug.
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SPXYZ
public static final INCHI_OPTION SPXYZ
Include Phosphines Stereochemistry.
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SAsXYZ
public static final INCHI_OPTION SAsXYZ
Include Arsines Stereochemistry
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Method Detail
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values
public static INCHI_OPTION[] 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 (INCHI_OPTION c : INCHI_OPTION.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 INCHI_OPTION 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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valueOfIgnoreCase
public static INCHI_OPTION valueOfIgnoreCase(java.lang.String string)
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