net.sf.jniinchi
Enum INCHI_OPTION

java.lang.Object
  java.lang.Enum<INCHI_OPTION>
      net.sf.jniinchi.INCHI_OPTION

All Implemented Interfaces:

Serializable, Comparable<INCHI_OPTION>

public enum INCHI_OPTION
extends Enum<INCHI_OPTION>

Type-safe enumeration of InChI options. See inchi_api.h.

Author:

Sam Adams

Enum Constant Summary

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.

Method Summary

static INCHI_OPTION	valueOf(String name) Returns the enum constant of this type with the specified name.
static INCHI_OPTION	valueOfIgnoreCase(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

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(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:

IllegalArgumentException - if this enum type has no constant with the specified name

NullPointerException - if the argument is null

valueOfIgnoreCase

public static INCHI_OPTION valueOfIgnoreCase(String string)