Enum Class INCHI_OPTION

java.lang.Object
java.lang.Enum<INCHI_OPTION>
net.sf.jniinchi.INCHI_OPTION
All Implemented Interfaces:
Serializable, Comparable<INCHI_OPTION>, Constable

public enum INCHI_OPTION extends Enum<INCHI_OPTION>
Type-safe enumeration of InChI options. See inchi_api.h.
  • Enum Constant Details

    • SUCF

      public static final INCHI_OPTION SUCF
      Use Chiral Flag.
    • ChiralFlagON

      public static final INCHI_OPTION ChiralFlagON
      Set Chiral Flag.
    • ChiralFlagOFF

      public static final INCHI_OPTION ChiralFlagOFF
      Set Not-Chiral Flag.
    • SNon

      public static final INCHI_OPTION SNon
      Exclude stereo (Default: Include Absolute stereo).
    • SAbs

      public static final INCHI_OPTION SAbs
      Absolute stereo.
    • SRel

      public static final INCHI_OPTION SRel
      Relative stereo.
    • SRac

      public static final INCHI_OPTION SRac
      Racemic stereo.
    • SUU

      public static final INCHI_OPTION SUU
      Include omitted unknown/undefined stereo.
    • NEWPS

      public static final INCHI_OPTION NEWPS
      Narrow end of wedge points to stereocentre (default: both).
    • RecMet

      public static final INCHI_OPTION RecMet
      Include reconnected bond to metal results.
    • FixedH

      public static final INCHI_OPTION FixedH
      Mobile H Perception Off (Default: On).
    • AuxNone

      public static final INCHI_OPTION AuxNone
      Omit auxiliary information (default: Include).
    • NoADP

      public static final INCHI_OPTION NoADP
      Disable Aggressive Deprotonation (for testing only).
    • Compress

      public static final INCHI_OPTION Compress
      Compressed output.
    • DoNotAddH

      public static final INCHI_OPTION DoNotAddH
      Overrides inchi_Atom::num_iso_H[0] == -1.
    • 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
    • OutputSDF

      public static final INCHI_OPTION OutputSDF
      Output SDfile instead of InChI.
    • WarnOnEmptyStructure

      public static final INCHI_OPTION WarnOnEmptyStructure
      Warn and produce empty InChI for empty structure.
    • FixSp3Bug

      public static final INCHI_OPTION FixSp3Bug
      Fix bug leading to missing or undefined sp3 parity.
    • FB

      public static final INCHI_OPTION FB
      Same as FixSp3Bug.
    • SPXYZ

      public static final INCHI_OPTION SPXYZ
      Include Phosphines Stereochemistry.
    • SAsXYZ

      public static final INCHI_OPTION SAsXYZ
      Include Arsines Stereochemistry
  • Constructor Details

    • INCHI_OPTION

      private INCHI_OPTION()
  • Method Details

    • values

      public static INCHI_OPTION[] 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
    • valueOf

      public static INCHI_OPTION valueOf(String name)
      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 name
      NullPointerException - if the argument is null
    • valueOfIgnoreCase

      public static INCHI_OPTION valueOfIgnoreCase(String string)