chemaxon.checkers
Enum StructureCheckerErrorType

java.lang.Object
  java.lang.Enum<StructureCheckerErrorType>
      chemaxon.checkers.StructureCheckerErrorType

All Implemented Interfaces:

java.io.Serializable, java.lang.Comparable<StructureCheckerErrorType>

public enum StructureCheckerErrorType
extends java.lang.Enum<StructureCheckerErrorType>

Enum containing possible error types for structure checkers.

Since:

Marvin 5.3

Version:

5.7

Author:

Attila Szabo

Enum Constant Summary

ABBREVIATED_GROUP
Error type represents that abbreviated groups had found in the molecule

ABBREVIATED_GROUP_WITH_ONLY_CONTRACTED
Error type represents that only contracted abbreviated groups had found in the molecule

ABBREVIATED_GROUP_WITH_ONLY_EXPANDED
Error type represents that only expanded abbreviated groups had found in the molecule

ALIAS
Error type represents that alias values had found in the molecule

ALIAS_ATOM
Error type represents that alias value that could be converted to an element had found in the molecule

ALIAS_GROUP
Error type represents that alias value that could be converted to an abbreviated group had found in the molecule

ALIAS_NONE
Error type represents that alias value had found in the molecule

AROMATICITY
Error type represents that aromaticity problem had found in the molecule

ATOM_MAP
Error type represents that atom maps had found in the molecule

ATOM_QUERY_PROPERTY
Error type representing that an atom has a query property set.

ATOM_TYPE
Error type represents that atom with the specified symbol had found in the molecule

ATOM_VALUE
Error type represents that atom values had found in the molecule

ATTACHED_DATA
Error type represents that attached data had found in the molecule

BOND_ANGLE
Error type represents that bond angle problem had found in the molecule

BOND_LENGTH
Error type represents that bond length problem had found in the molecule

COVALENT_COUNTER_ION
Error type represents that incorrectly drawn covalent counter ion had found in the molecule

CROSSED_DOUBLE_BOND
Error type represents that crossed double bond had found in the molecule

DOODLE
Error type represents that molecule with serious scanning or drawing issue had found

EMPTY
Error type represents that molecule structure was empty

EXPLICIT_H
Error type represents that explicit hydrogen had found in the molecule

EXPLICIT_LONE_PAIR
Error type represents that explicit lone pair had found in the molecule

EXTERNAL
Error type for externally developed StructureChecker classes

INVALID_CHIRAL_FLAG
Error type represents that stereo center with no enhanced stereo property had found in the molecule

INVALID_COORD_SYSTEM
Error type represents that invalid coordination system had found in the molecule

INVALID_REACTION_MAP
Error type represents that invalid mapping had found in the molecule (represents a reaction)

INVALID_RGROUP
Error type represents that molecule with invalid rgroup had found

INVALID_STEREO
Error type represents that a small ring with trans double bond had found in the molecule

INVALID_WEDGE
Error type represents that invalid wedge bond had found in the molecule

ISOTOPE
Error type represents that isotpoe atom had found in the molecule

METALLOCENE
Error type represents that incorrectly drawn metallocene had found in the molecule

METALLOCENE_AMBIGUOUS
Error type represents that incorrectly drawn metallocenes had found in the molecule

MISSING_ATOM_MAP
Error type represents that atom with no atom map had found in the molecule

MOLECULE_CHARGE
Error type represents that the sum charge of the molecule wasn't zero

MULTI_CENTER
Error type representing that invalid R-group definition is in the molecule

MULTI_COMPONENT
Error type represents that molecule had contained multiple components

NO_ERROR
Error type for results sign no error.

OVERLAPPING_ATOMS
Error type represents that overlapping atoms had found in the molecule

OVERLAPPING_BONDS
Error type represents that overlapping bonds had found in the molecule

PSEUDO
Error type represents that atom with pseudo property could be converted to abbreviated group had found in the molecule

PSEUDO_NO_GROUP
Error type represents that atom with pseudo property had found in the molecule

QUERY_ATOM
Error type represents that atom with query properties had found in the molecule

QUERY_BOND
Error type represents that bond with query properties had found in the molecule

RACEMATE
Error type representing asymmetric atom without specific stereo configuration.

RADICAL
Error type represents that atom with radical had found in the molecule

RARE_ELEMENT
Error type represents that rare element had found in the molecule

RATOM
Error type represening that the molecule contains R-atom.

RGROUP_ATTACHMENT_ERROR
Error type representing invalid attachments in R-group definitions.

RGROUP_REFERENCE_ERROR
Error type representing R-group reference errors.

SMALL_RING
Error type represents that small ring error had found in the molecule

SOLVENT
Error type represents that solvent had found in the molecule

SOLVENT_AMBIGOUS
Error type represents that more than one type of solvents had found in the molecule

STAR
Error type represents that star atom had found in the molecule

STEREO_CARE_BOX
Error type representing stereo search markers in the molecule

SUBSTRUCTURE
Error type represents that the needed substructure had found

SUBSTRUCTURE_NOFIX
Error type represents that the needed substructure had found but no data will be available for the fix in the result

THREE_DIM
Error type represents that 3d coordinates had found in the molecule

UNBALANCED_REACTION
Error type representing reactions scheme having more atoms on one side of the reaction arrow than on the other.

VALENCE
Error type represents that valence error had found in the molecule

VALENCE_PROPERTY
Error type representing that an atom has a valence property set.

WIGGLY
Error type represents that wiggly bond had found in the molecule

Method Summary

static StructureCheckerErrorType	valueOf(java.lang.String name) Returns the enum constant of this type with the specified name.
static StructureCheckerErrorType[]	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

NO_ERROR

public static final StructureCheckerErrorType NO_ERROR

Error type for results sign no error. Not used anywhere. Just for completeness

ABBREVIATED_GROUP

public static final StructureCheckerErrorType ABBREVIATED_GROUP

Error type represents that abbreviated groups had found in the molecule

ABBREVIATED_GROUP_WITH_ONLY_EXPANDED

public static final StructureCheckerErrorType ABBREVIATED_GROUP_WITH_ONLY_EXPANDED

Error type represents that only expanded abbreviated groups had found in the molecule

ABBREVIATED_GROUP_WITH_ONLY_CONTRACTED

public static final StructureCheckerErrorType ABBREVIATED_GROUP_WITH_ONLY_CONTRACTED

Error type represents that only contracted abbreviated groups had found in the molecule

ALIAS

public static final StructureCheckerErrorType ALIAS

Error type represents that alias values had found in the molecule

AROMATICITY

public static final StructureCheckerErrorType AROMATICITY

Error type represents that aromaticity problem had found in the molecule

ATOM_MAP

public static final StructureCheckerErrorType ATOM_MAP

Error type represents that atom maps had found in the molecule

ATOM_QUERY_PROPERTY

public static final StructureCheckerErrorType ATOM_QUERY_PROPERTY

Error type representing that an atom has a query property set.

ATOM_VALUE

public static final StructureCheckerErrorType ATOM_VALUE

Error type represents that atom values had found in the molecule

ATTACHED_DATA

public static final StructureCheckerErrorType ATTACHED_DATA

Error type represents that attached data had found in the molecule

BOND_ANGLE

public static final StructureCheckerErrorType BOND_ANGLE

Error type represents that bond angle problem had found in the molecule

BOND_LENGTH

public static final StructureCheckerErrorType BOND_LENGTH

Error type represents that bond length problem had found in the molecule

CROSSED_DOUBLE_BOND

public static final StructureCheckerErrorType CROSSED_DOUBLE_BOND

Error type represents that crossed double bond had found in the molecule

EXPLICIT_H

public static final StructureCheckerErrorType EXPLICIT_H

Error type represents that explicit hydrogen had found in the molecule

THREE_DIM

public static final StructureCheckerErrorType THREE_DIM

Error type represents that 3d coordinates had found in the molecule

OVERLAPPING_ATOMS

public static final StructureCheckerErrorType OVERLAPPING_ATOMS

Error type represents that overlapping atoms had found in the molecule

OVERLAPPING_BONDS

public static final StructureCheckerErrorType OVERLAPPING_BONDS

Error type represents that overlapping bonds had found in the molecule

MISSING_ATOM_MAP

public static final StructureCheckerErrorType MISSING_ATOM_MAP

Error type represents that atom with no atom map had found in the molecule

VALENCE

public static final StructureCheckerErrorType VALENCE

Error type represents that valence error had found in the molecule

QUERY_ATOM

public static final StructureCheckerErrorType QUERY_ATOM

Error type represents that atom with query properties had found in the molecule

QUERY_BOND

public static final StructureCheckerErrorType QUERY_BOND

Error type represents that bond with query properties had found in the molecule

ISOTOPE

public static final StructureCheckerErrorType ISOTOPE

Error type represents that isotpoe atom had found in the molecule

INVALID_CHIRAL_FLAG

public static final StructureCheckerErrorType INVALID_CHIRAL_FLAG

Error type represents that stereo center with no enhanced stereo property had found in the molecule

MOLECULE_CHARGE

public static final StructureCheckerErrorType MOLECULE_CHARGE

Error type represents that the sum charge of the molecule wasn't zero

RADICAL

public static final StructureCheckerErrorType RADICAL

Error type represents that atom with radical had found in the molecule

INVALID_REACTION_MAP

public static final StructureCheckerErrorType INVALID_REACTION_MAP

Error type represents that invalid mapping had found in the molecule (represents a reaction)

EXTERNAL

public static final StructureCheckerErrorType EXTERNAL

Error type for externally developed StructureChecker classes

WIGGLY

public static final StructureCheckerErrorType WIGGLY

Error type represents that wiggly bond had found in the molecule

INVALID_STEREO

public static final StructureCheckerErrorType INVALID_STEREO

Error type represents that a small ring with trans double bond had found in the molecule

INVALID_COORD_SYSTEM

public static final StructureCheckerErrorType INVALID_COORD_SYSTEM

Error type represents that invalid coordination system had found in the molecule

PSEUDO

public static final StructureCheckerErrorType PSEUDO

Error type represents that atom with pseudo property could be converted to abbreviated group had found in the molecule

PSEUDO_NO_GROUP

public static final StructureCheckerErrorType PSEUDO_NO_GROUP

Error type represents that atom with pseudo property had found in the molecule

RATOM

public static final StructureCheckerErrorType RATOM

Error type represening that the molecule contains R-atom.

RGROUP_ATTACHMENT_ERROR

public static final StructureCheckerErrorType RGROUP_ATTACHMENT_ERROR

Error type representing invalid attachments in R-group definitions.

RGROUP_REFERENCE_ERROR

public static final StructureCheckerErrorType RGROUP_REFERENCE_ERROR

Error type representing R-group reference errors.

MULTI_CENTER

public static final StructureCheckerErrorType MULTI_CENTER

Error type representing that invalid R-group definition is in the molecule

INVALID_WEDGE

public static final StructureCheckerErrorType INVALID_WEDGE

Error type represents that invalid wedge bond had found in the molecule

ALIAS_ATOM

public static final StructureCheckerErrorType ALIAS_ATOM

Error type represents that alias value that could be converted to an element had found in the molecule

ALIAS_GROUP

public static final StructureCheckerErrorType ALIAS_GROUP

Error type represents that alias value that could be converted to an abbreviated group had found in the molecule

ALIAS_NONE

public static final StructureCheckerErrorType ALIAS_NONE

Error type represents that alias value had found in the molecule

METALLOCENE

public static final StructureCheckerErrorType METALLOCENE

Error type represents that incorrectly drawn metallocene had found in the molecule

METALLOCENE_AMBIGUOUS

public static final StructureCheckerErrorType METALLOCENE_AMBIGUOUS

Error type represents that incorrectly drawn metallocenes had found in the molecule

COVALENT_COUNTER_ION

public static final StructureCheckerErrorType COVALENT_COUNTER_ION

Error type represents that incorrectly drawn covalent counter ion had found in the molecule

SOLVENT

public static final StructureCheckerErrorType SOLVENT

Error type represents that solvent had found in the molecule

SOLVENT_AMBIGOUS

public static final StructureCheckerErrorType SOLVENT_AMBIGOUS

Error type represents that more than one type of solvents had found in the molecule

MULTI_COMPONENT

public static final StructureCheckerErrorType MULTI_COMPONENT

Error type represents that molecule had contained multiple components

EMPTY

public static final StructureCheckerErrorType EMPTY

Error type represents that molecule structure was empty

STAR

public static final StructureCheckerErrorType STAR

Error type represents that star atom had found in the molecule

EXPLICIT_LONE_PAIR

public static final StructureCheckerErrorType EXPLICIT_LONE_PAIR

Error type represents that explicit lone pair had found in the molecule

ATOM_TYPE

public static final StructureCheckerErrorType ATOM_TYPE

Error type represents that atom with the specified symbol had found in the molecule

RARE_ELEMENT

public static final StructureCheckerErrorType RARE_ELEMENT

Error type represents that rare element had found in the molecule

SMALL_RING

public static final StructureCheckerErrorType SMALL_RING

Error type represents that small ring error had found in the molecule

DOODLE

public static final StructureCheckerErrorType DOODLE

Error type represents that molecule with serious scanning or drawing issue had found

INVALID_RGROUP

public static final StructureCheckerErrorType INVALID_RGROUP

Error type represents that molecule with invalid rgroup had found

SUBSTRUCTURE

public static final StructureCheckerErrorType SUBSTRUCTURE

Error type represents that the needed substructure had found

SUBSTRUCTURE_NOFIX

public static final StructureCheckerErrorType SUBSTRUCTURE_NOFIX

Error type represents that the needed substructure had found but no data will be available for the fix in the result

RACEMATE

public static final StructureCheckerErrorType RACEMATE

Error type representing asymmetric atom without specific stereo configuration.

UNBALANCED_REACTION

public static final StructureCheckerErrorType UNBALANCED_REACTION

Error type representing reactions scheme having more atoms on one side of the reaction arrow than on the other.

VALENCE_PROPERTY

public static final StructureCheckerErrorType VALENCE_PROPERTY

Error type representing that an atom has a valence property set.

STEREO_CARE_BOX

public static final StructureCheckerErrorType STEREO_CARE_BOX

Error type representing stereo search markers in the molecule

Method Detail

values

public static StructureCheckerErrorType[] 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 (StructureCheckerErrorType c : StructureCheckerErrorType.values())
    System.out.println(c);

Returns:

an array containing the constants of this enum type, in the order they are declared

valueOf

public static StructureCheckerErrorType 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