Enum INCHI_OPTION

  • 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.
    • 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 Stereochemistry
      SNon
      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.
    • Constructor Summary

      Constructors 
      Modifier Constructor Description
      private INCHI_OPTION()  
    • 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.
      • Methods inherited from class java.lang.Enum

        clone, compareTo, equals, finalize, getDeclaringClass, hashCode, name, ordinal, toString, valueOf
      • Methods inherited from class java.lang.Object

        getClass, notify, notifyAll, wait, wait, wait
    • Enum Constant Detail

      • 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 Detail

      • INCHI_OPTION

        private INCHI_OPTION()
    • Method Detail

      • 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
      • 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 name
        java.lang.NullPointerException - if the argument is null
      • valueOfIgnoreCase

        public static INCHI_OPTION valueOfIgnoreCase​(java.lang.String string)