Package chemaxon.checkers
Enum Class StructureCheckerErrorType
- All Implemented Interfaces:
Serializable,Comparable<StructureCheckerErrorType>,Constable
Enum containing possible error types for structure checkers.
- Since:
- Marvin 5.3
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Nested Class Summary
Nested classes/interfaces inherited from class java.lang.Enum
Enum.EnumDesc<E extends Enum<E>> -
Enum Constant Summary
Enum ConstantsEnum ConstantDescriptionRepresents that abbreviated groups have been found in the moleculeRepresents that only contracted abbreviated groups have been found in the moleculeRepresents that only expanded abbreviated groups have been found in the moleculeRepresents that the molecule is chiral, but flag is not added to the moleculeRepresents that all asymmetric centers in the molecule have absolute stereo configurationRepresents that alias values have been found in the moleculeRepresents that alias values that could be converted to elements have been found in the moleculeRepresents that alias values that could be converted to abbreviated groups have been found in the moleculeRepresents that alias values have been found in the molecule, but they cannot be converted to elements or abbreviated groupsRepresents that aromaticity problems have been found in the moleculeRepresents that atom maps have been found in the moleculeRepresents that atoms having query properties have been found in the moleculeRepresents that atoms with the specified symbol have been found in the moleculeRepresents that atom values have been found in the moleculeRepresents that atropisomers have been found in the moleculeRepresents that attached data have been found in the moleculeRepresents that bond angle problems have been found in the moleculeRepresents that bond length problems have been found in the moleculeRepresents that the molecule contains bond(s) with topologyRepresenting that the molecule contains bracketsRepresents that the molecule is marked with "absolute stereo" flagRepresents that the molecule contains circular R-group referencesRepresents that incorrectly drawn covalent counter ions have been found in the moleculeRepresents that crossed double bonds have been found in the moleculeRepresents that the molecule contains serious scanning or drawing issues, typically as a result of optical recognition processRepresents that the molecule contains either double bonds which are not validRepresents that the molecule is emptyRepresents that explicit hydrogens have been found in the moleculeRepresents that explicit lone pairs have been found in the moleculeError type for externally developedStructureCheckerclassesRepresents that the molecule contains double bonds that can be cis or transRepresents that incorrect/impossible arrangement of wedge bonds around chiral centers have been found in the moleculeRepresents that the molecule is marked with invalid "absolute stereo" flagDeprecated, for removal: This API element is subject to removal in a future version.Represents that invalid coordination systems have been found in the moleculeRepresents that invalid reaction mapping has been found in the moleculeRepresents that invalid R-groups have been found in the moleculeRepresents that isotope atoms have been found in the moleculeRepresents that incorrectly drawn metallocenes have been found in the moleculeRepresents that incorrectly drawn metallocenes have been found in the moleculeRepresents that atoms without atom map numbers have been found in the moleculeRepresents that some R-group definitions are missing from the moleculeRepresents that the sum charge of the molecule is not zeroRepresents that invalid R-group definitions have been found in the moleculeDeprecated, for removal: This API element is subject to removal in a future version.MULTIPLE_COMPONENTis used insteadRepresents that the molecule contains multiple componentsRepresents that the molecule contains multiple stereo centersDummy error type representing no errors.Represents that non-standard wedge configurations around chiral centers have been found in the moleculeRepresents that wedge bonds connected to non-stereo atoms have been found in the moleculeRepresents that overlapping atoms have been found in the moleculeRepresents that overlapping bonds have been found in the moleculeRepresents that pseudo atoms have been found in the moleculeRepresents that pseudo atoms that could be converted to abbreviated groups have been found in the moleculeDeprecated, for removal: This API element is subject to removal in a future version.PSEUDOis used insteadRepresents that atoms with query properties have been found in the moleculeRepresents that bonds with query properties have been found in the moleculeRepresents that asymmetric atoms without specific stereo configuration have been found in the moleculeRepresents that atoms with radicals have been found in the moleculeRepresents that rare elements have been found in the moleculeRepresents that the molecule contains R-atomRepresents that the molecule contains reacting center bond marksRepresents that the molecule contains multiple stereogenic center groupsRepresents that invalid attachments in R-group definitions have been found in the moleculeRepresents that invalid R-atoms corresponding to R-group bridge definitions have been found in the moleculeRepresents that small ring errors have been found in the moleculeRepresents that solvents have been found in the moleculeDeprecated, for removal: This API element is subject to removal in a future version.SOLVENT_AMBIGUOUSis used insteadRepresents that more than one type of solvents have been found in the moleculeRepresents that star atoms have been found in the moleculeRepresents that stereo-care boxes (search markers) have been found in the moleculeRepresents that stereo inversion/retention marks have been found in the molecule/reactionRepresents that straight double bonds have been found in the moleculeRepresents that the specified substructure has been found in the moleculeDeprecated, for removal: This API element is subject to removal in a future version.This error type is not used, will be removedRepresents that 3D coordinates have been found in the moleculeRepresents that the reactions scheme has more atoms on one side of the reaction arrow than on the otherRepresents that the molecule contains unused R-group definitionsRepresents that valence errors have been found in the moleculeRepresents that atoms with specified valence properties have been found in the moleculeRepresents that wiggly bonds have been found in the moleculeRepresents that wiggly bonds on tetrahedral stereo centers have been found in the molecule -
Method Summary
Modifier and TypeMethodDescriptionstatic StructureCheckerErrorTypeReturns the enum constant of this class with the specified name.static StructureCheckerErrorType[]values()Returns an array containing the constants of this enum class, in the order they are declared.
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Enum Constant Details
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ABBREVIATED_GROUP
Represents that abbreviated groups have been found in the molecule -
ABBREVIATED_GROUP_WITH_ONLY_CONTRACTED
Represents that only contracted abbreviated groups have been found in the molecule -
ABBREVIATED_GROUP_WITH_ONLY_EXPANDED
Represents that only expanded abbreviated groups have been found in the molecule -
ABSENT_CHIRAL_FLAG
Represents that the molecule is chiral, but flag is not added to the molecule -
ABSOLUTE_STEREO_CONFIGURATION
Represents that all asymmetric centers in the molecule have absolute stereo configuration -
ALIAS
Represents that alias values have been found in the molecule -
ALIAS_ATOM
Represents that alias values that could be converted to elements have been found in the molecule -
ALIAS_GROUP
Represents that alias values that could be converted to abbreviated groups have been found in the molecule -
ALIAS_NONE
Represents that alias values have been found in the molecule, but they cannot be converted to elements or abbreviated groups -
AROMATICITY
Represents that aromaticity problems have been found in the molecule -
ATOM_MAP
Represents that atom maps have been found in the molecule -
ATOM_QUERY_PROPERTY
Represents that atoms having query properties have been found in the molecule -
ATOM_TYPE
Represents that atoms with the specified symbol have been found in the molecule -
ATOM_VALUE
Represents that atom values have been found in the molecule -
ATROPISOMER
Represents that atropisomers have been found in the molecule -
ATTACHED_DATA
Represents that attached data have been found in the molecule -
BOND_ANGLE
Represents that bond angle problems have been found in the molecule -
BOND_LENGTH
Represents that bond length problems have been found in the molecule -
BOND_TOPOLOGY
Represents that the molecule contains bond(s) with topology -
BRACKETS
Representing that the molecule contains brackets -
CHIRAL_FLAG
Represents that the molecule is marked with "absolute stereo" flag -
CIRCULAR_RGROUP_REFERENCE
Represents that the molecule contains circular R-group references -
COVALENT_COUNTER_ION
Represents that incorrectly drawn covalent counter ions have been found in the molecule -
CROSSED_DOUBLE_BOND
Represents that crossed double bonds have been found in the molecule -
DOODLE
Represents that the molecule contains serious scanning or drawing issues, typically as a result of optical recognition process -
DOUBLE_BOND_STEREO
Represents that the molecule contains either double bonds which are not valid -
EMPTY
Represents that the molecule is empty -
EXPLICIT_H
Represents that explicit hydrogens have been found in the molecule -
EXPLICIT_LONE_PAIR
Represents that explicit lone pairs have been found in the molecule -
EXTERNAL
Error type for externally developedStructureCheckerclasses -
EZ_DOUBLE_BOND
Represents that the molecule contains double bonds that can be cis or trans -
INCORRECT_TETRAHEDRAL_STEREO
Represents that incorrect/impossible arrangement of wedge bonds around chiral centers have been found in the molecule -
INVALID_CHIRAL_FLAG
Represents that the molecule is marked with invalid "absolute stereo" flag -
INVALID_COORDINATION_SYSTEM
Represents that invalid coordination systems have been found in the molecule -
INVALID_COORD_SYSTEM
@Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2026) public static final StructureCheckerErrorType INVALID_COORD_SYSTEMDeprecated, for removal: This API element is subject to removal in a future version.INVALID_COORDINATION_SYSTEMis used insteadRepresents that invalid coordination systems have been found in the molecule -
INVALID_REACTION_MAP
Represents that invalid reaction mapping has been found in the molecule -
INVALID_RGROUP
Represents that invalid R-groups have been found in the molecule -
ISOTOPE
Represents that isotope atoms have been found in the molecule -
METALLOCENE
Represents that incorrectly drawn metallocenes have been found in the molecule -
METALLOCENE_AMBIGUOUS
Represents that incorrectly drawn metallocenes have been found in the molecule -
MISSING_ATOM_MAP
Represents that atoms without atom map numbers have been found in the molecule -
MISSING_RGROUP
Represents that some R-group definitions are missing from the molecule -
MOLECULE_CHARGE
Represents that the sum charge of the molecule is not zero -
MULTI_CENTER
Represents that invalid R-group definitions have been found in the molecule -
MULTIPLE_COMPONENT
Represents that the molecule contains multiple components -
MULTI_COMPONENT
@Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2026) public static final StructureCheckerErrorType MULTI_COMPONENTDeprecated, for removal: This API element is subject to removal in a future version.MULTIPLE_COMPONENTis used insteadRepresents that the molecule contains multiple components -
MULTIPLE_STEREO_CENTER
Represents that the molecule contains multiple stereo centers -
NO_ERROR
Dummy error type representing no errors. Actual checkers do not use this error type, it is only used internally for technical reasons. -
NON_STANDARD_WEDGE_SCHEME
Represents that non-standard wedge configurations around chiral centers have been found in the molecule -
NON_STEREO_WEDGE_BOND
Represents that wedge bonds connected to non-stereo atoms have been found in the molecule -
OVERLAPPING_ATOMS
Represents that overlapping atoms have been found in the molecule -
OVERLAPPING_BONDS
Represents that overlapping bonds have been found in the molecule -
PSEUDO
Represents that pseudo atoms have been found in the molecule -
PSEUDO_GROUP
Represents that pseudo atoms that could be converted to abbreviated groups have been found in the molecule -
PSEUDO_NO_GROUP
@Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2026) public static final StructureCheckerErrorType PSEUDO_NO_GROUPDeprecated, for removal: This API element is subject to removal in a future version.PSEUDOis used insteadRepresents that pseudo atoms have been found in the molecule -
QUERY_ATOM
Represents that atoms with query properties have been found in the molecule -
QUERY_BOND
Represents that bonds with query properties have been found in the molecule -
RACEMATE
Represents that asymmetric atoms without specific stereo configuration have been found in the molecule -
RADICAL
Represents that atoms with radicals have been found in the molecule -
RARE_ELEMENT
Represents that rare elements have been found in the molecule -
RATOM
Represents that the molecule contains R-atom -
REACTING_CENTER_BOND_MARK
Represents that the molecule contains reacting center bond marks -
RELATIVE_STEREO
Represents that the molecule contains multiple stereogenic center groups -
RGROUP_ATTACHMENT_ERROR
Represents that invalid attachments in R-group definitions have been found in the molecule -
RGROUP_BRIDGE_RATOM
Represents that invalid R-atoms corresponding to R-group bridge definitions have been found in the molecule -
SMALL_RING
Represents that small ring errors have been found in the molecule -
SOLVENT
Represents that solvents have been found in the molecule -
SOLVENT_AMBIGUOUS
Represents that more than one type of solvents have been found in the molecule -
SOLVENT_AMBIGOUS
@Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2026) public static final StructureCheckerErrorType SOLVENT_AMBIGOUSDeprecated, for removal: This API element is subject to removal in a future version.SOLVENT_AMBIGUOUSis used insteadRepresents that more than one type of solvents have been found in the molecule -
STAR
Represents that star atoms have been found in the molecule -
STEREO_CARE_BOX
Represents that stereo-care boxes (search markers) have been found in the molecule -
STEREO_INVERSION_RETENTION_MARK
Represents that stereo inversion/retention marks have been found in the molecule/reaction -
STRAIGHT_DOUBLE_BOND
Represents that straight double bonds have been found in the molecule -
SUBSTRUCTURE
Represents that the specified substructure has been found in the molecule -
SUBSTRUCTURE_NOFIX
@Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2026) public static final StructureCheckerErrorType SUBSTRUCTURE_NOFIXDeprecated, for removal: This API element is subject to removal in a future version.This error type is not used, will be removedRepresents that the specified substructure has been found in the molecule, but no data will be available for the fix in the result -
THREE_DIM
Represents that 3D coordinates have been found in the molecule -
UNBALANCED_REACTION
Represents that the reactions scheme has more atoms on one side of the reaction arrow than on the other -
UNUSED_RGROUP
Represents that the molecule contains unused R-group definitions -
VALENCE
Represents that valence errors have been found in the molecule -
VALENCE_PROPERTY
Represents that atoms with specified valence properties have been found in the molecule -
WIGGLY
Represents that wiggly bonds have been found in the molecule -
WIGGLY_BOND_TETRAHEDRAL
Represents that wiggly bonds on tetrahedral stereo centers have been found in the molecule
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Method Details
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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
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valueOf
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 nameNullPointerException- if the argument is null
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INVALID_COORDINATION_SYSTEMis used instead