Package chemaxon.checkers
Enum Class StructureCheckerErrorType
- All Implemented Interfaces:
Serializable
,Comparable<StructureCheckerErrorType>
,java.lang.constant.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>>
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Enum Constant Summary
Enum ConstantDescriptionError type represents that abbreviated groups had found in the moleculeError type represents that only contracted abbreviated groups had found in the moleculeError type represents that only expanded abbreviated groups had found in the moleculeError type represents that molecule is chiral, but flag is not added to the moleculeError type represents molecules in which all asymmetric centers have absolute stereo configurationError type represents that alias values had found in the moleculeError type represents that alias value that could be converted to an element had found in the moleculeError type represents that alias value that could be converted to an abbreviated group had found in the moleculeError type represents that alias value had found in the moleculeError type represents that aromaticity problem had found in the moleculeError type represents that atom maps had found in the moleculeError type representing that an atom has a query property set.Error type represents that atom with the specified symbol had found in the moleculeError type represents that atom values had found in the moleculeError type represents that atropisomers are found in the moleculeError type represents that attached data had found in the moleculeError type represents that bond angle problem had found in the moleculeError type represents that bond length problem had found in the moleculeError type represents that molecule contains bond(s) with topology.Error type representing that the molecule contains brackets (S-groups).Error type represents molecules marked with "absolute stereo" flag.Error type represents that molecule with circular R-group definition foundError type represents that incorrectly drawn covalent counter ion had found in the moleculeError type represents that crossed double bond had found in the moleculeError type represents that molecule with serious scanning or drawing issue had foundError type represents that molecule contains either double bonds which are not validError type represents that molecule structure was emptyError type represents that explicit hydrogen had found in the moleculeError type represents that explicit lone pair had found in the moleculeError type for externally developedStructureChecker
classesError type represents that molecule contains double bonds, that can be cis or transRepresents incorrect/impossible arrangement of wedge bond around chiral centers.Error type represents that stereo center with no enhanced stereo property had found in the moleculeError type represents that invalid coordination system had found in the moleculeError type represents that invalid mapping had found in the molecule (represents a reaction)Error type represents that molecule with invalid rgroup had foundDeprecated.Error type represents that isotpoe atom had found in the moleculeError type represents that incorrectly drawn metallocene had found in the moleculeError type represents that incorrectly drawn metallocenes had found in the moleculeError type represents that atom with no atom map had found in the moleculeError type represents that molecule with missing R-group definition foundError type represents that the sum charge of the molecule wasn't zeroError type representing that invalid R-group definition is in the moleculeError type represents that molecule had contained multiple componentsError type represents that molecule contains multiple stereo centersError type for results sign no error.Wedge configuration around a chiral center doesn't follow IUPAC recommendations.The wedge is connected to a non-stereo atom.Error type represents that overlapping atoms had found in the moleculeError type represents that overlapping bonds had found in the moleculeError type represents that atom with pseudo property could be converted to abbreviated group had found in the moleculeError type represents that atom with pseudo property had found in the moleculeError type represents that atom with query properties had found in the moleculeError type represents that bond with query properties had found in the moleculeError type representing asymmetric atom without specific stereo configuration.Error type represents that atom with radical had found in the moleculeError type represents that rare element had found in the moleculeError type representing that the molecule contains R-atom.Error type represents that molecule contains reacting center bond marks.Error type represents that molecules having multiple stereogenic center groupsError type representing invalid attachments in R-group definitions.Error type representing invalid R-atoms corresponding to R-group bridge definitions.Error type represents that small ring error had found in the moleculeError type represents that solvent had found in the moleculeError type represents that more than one type of solvents had found in the moleculeError type represents that star atom had found in the moleculeError type representing stereo search markers in the moleculeError type representing stereo inversion/retention marks in the molecule/reactionError type represents molecules containing "either" double bonds.Error type represents that the needed substructure had foundError type represents that the needed substructure had found but no data will be available for the fix in the resultError type represents that 3d coordinates had found in the moleculeError type representing reactions scheme having more atoms on one side of the reaction arrow than on the other.Error type represents that molecule with unused R-group definition foundError type represents that valence error had found in the moleculeError type representing that an atom has a valence property set.Error type represents that wiggly bond had found in the moleculeError type represents molecules having wiggly bonds on tetrahedral stereo centers -
Method Summary
Modifier and TypeMethodDescriptionstatic StructureCheckerErrorType
Returns 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
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 -
ABSENT_CHIRAL_FLAG
Error type represents that molecule is chiral, but flag is not added to the molecule -
ABSOLUTE_STEREO_CONFIGURATION
Error type represents molecules in which all asymmetric centers have absolute stereo configuration -
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 -
ATROPISOMER
Error type represents that atropisomers are 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 -
BOND_TOPOLOGY
Error type represents that molecule contains bond(s) with topology. -
BRACKETS
Error type representing that the molecule contains brackets (S-groups). -
CHIRAL_FLAG
Error type represents molecules marked with "absolute stereo" flag. -
CIRCULAR_RGROUP_REFERENCE
Error type represents that molecule with circular R-group definition found -
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 -
DOUBLE_BOND_STEREO
Error type represents that molecule contains either double bonds which are not valid -
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 developedStructureChecker
classes -
EZ_DOUBLE_BOND
Error type represents that molecule contains double bonds, that can be cis or trans -
INCORRECT_TETRAHEDRAL_STEREO
Represents incorrect/impossible arrangement of wedge bond around chiral centers. -
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_WEDGE
Deprecated.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 -
MISSING_RGROUP
Error type represents that molecule with missing R-group definition found -
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 -
MULTIPLE_STEREO_CENTER
Error type represents that molecule contains multiple stereo centers -
NO_ERROR
Error type for results sign no error. Not used anywhere. Just for completeness -
NON_STANDARD_WEDGE_SCHEME
Wedge configuration around a chiral center doesn't follow IUPAC recommendations. Type: warning -
NON_STEREO_WEDGE_BOND
The wedge is connected to a non-stereo atom. Type: 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 representing that the molecule contains R-atom. -
REACTING_CENTER_BOND_MARK
Error type represents that molecule contains reacting center bond marks. -
RELATIVE_STEREO
Error type represents that molecules having multiple stereogenic center groups -
RGROUP_ATTACHMENT_ERROR
Error type representing invalid attachments in R-group definitions. -
RGROUP_BRIDGE_RATOM
Error type representing invalid R-atoms corresponding to R-group bridge definitions. -
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 -
STEREO_INVERSION_RETENTION_MARK
Error type representing stereo inversion/retention marks in the molecule/reaction -
STRAIGHT_DOUBLE_BOND
Error type represents molecules containing "either" double bonds. -
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. -
UNUSED_RGROUP
Error type represents that molecule with unused R-group definition found -
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 -
WIGGLY_BOND_TETRAHEDRAL
Error type represents molecules having wiggly bonds on tetrahedral stereo centers
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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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