Package chemaxon.checkers
Enum StructureCheckerErrorType
- java.lang.Object
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- java.lang.Enum<StructureCheckerErrorType>
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- chemaxon.checkers.StructureCheckerErrorType
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- All Implemented Interfaces:
Serializable
,Comparable<StructureCheckerErrorType>
@PublicAPI public enum StructureCheckerErrorType extends Enum<StructureCheckerErrorType>
Enum containing possible error types for structure checkers.- Since:
- Marvin 5.3
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Enum Constant Summary
Enum Constants Enum Constant Description ABBREVIATED_GROUP
Error type represents that abbreviated groups had found in the moleculeABBREVIATED_GROUP_WITH_ONLY_CONTRACTED
Error type represents that only contracted abbreviated groups had found in the moleculeABBREVIATED_GROUP_WITH_ONLY_EXPANDED
Error type represents that only expanded abbreviated groups had found in the moleculeABSENT_CHIRAL_FLAG
Error type represents that molecule is chiral, but flag is not added to the moleculeABSOLUTE_STEREO_CONFIGURATION
Error type represents molecules in which all asymmetric centers have absolute stereo configurationALIAS
Error type represents that alias values had found in the moleculeALIAS_ATOM
Error type represents that alias value that could be converted to an element had found in the moleculeALIAS_GROUP
Error type represents that alias value that could be converted to an abbreviated group had found in the moleculeALIAS_NONE
Error type represents that alias value had found in the moleculeAROMATICITY
Error type represents that aromaticity problem had found in the moleculeATOM_MAP
Error type represents that atom maps had found in the moleculeATOM_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 moleculeATOM_VALUE
Error type represents that atom values had found in the moleculeATROPISOMER
Error type represents that atropisomers are found in the moleculeATTACHED_DATA
Error type represents that attached data had found in the moleculeBOND_ANGLE
Error type represents that bond angle problem had found in the moleculeBOND_LENGTH
Error type represents that bond length problem had found in the moleculeBRACKETS
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 foundCOVALENT_COUNTER_ION
Error type represents that incorrectly drawn covalent counter ion had found in the moleculeCROSSED_DOUBLE_BOND
Error type represents that crossed double bond had found in the moleculeDOODLE
Error type represents that molecule with serious scanning or drawing issue had foundDOUBLE_BOND_STEREO
Error type represents that molecule contains either double bonds which are not validEMPTY
Error type represents that molecule structure was emptyEXPLICIT_H
Error type represents that explicit hydrogen had found in the moleculeEXPLICIT_LONE_PAIR
Error type represents that explicit lone pair had found in the moleculeEXTERNAL
Error type for externally developedStructureChecker
classesEZ_DOUBLE_BOND
Error type represents that molecule contains double bonds, that can be cis or transINCORRECT_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 moleculeINVALID_COORD_SYSTEM
Error type represents that invalid coordination system had found in the moleculeINVALID_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 foundINVALID_STEREO
Deprecated.INVALID_WEDGE
Deprecated.ISOTOPE
Error type represents that isotpoe atom had found in the moleculeMETALLOCENE
Error type represents that incorrectly drawn metallocene had found in the moleculeMETALLOCENE_AMBIGUOUS
Error type represents that incorrectly drawn metallocenes had found in the moleculeMISSING_ATOM_MAP
Error type represents that atom with no atom map had found in the moleculeMISSING_RGROUP
Error type represents that molecule with missing R-group definition foundMOLECULE_CHARGE
Error type represents that the sum charge of the molecule wasn't zeroMULTI_CENTER
Error type representing that invalid R-group definition is in the moleculeMULTI_COMPONENT
Error type represents that molecule had contained multiple componentsMULTIPLE_STEREO_CENTER
Error type represents that molecule contains multiple stereo centersNO_ERROR
Error type for results sign no error.NON_STANDARD_WEDGE_SCHEME
Wedge configuration around a chiral center doesn't follow IUPAC recommendations.NON_STEREO_WEDGE_BOND
The wedge is connected to a non-stereo atom.OVERLAPPING_ATOMS
Error type represents that overlapping atoms had found in the moleculeOVERLAPPING_BONDS
Error type represents that overlapping bonds had found in the moleculePSEUDO
Error type represents that atom with pseudo property could be converted to abbreviated group had found in the moleculePSEUDO_NO_GROUP
Error type represents that atom with pseudo property had found in the moleculeQUERY_ATOM
Error type represents that atom with query properties had found in the moleculeQUERY_BOND
Error type represents that bond with query properties had found in the moleculeRACEMATE
Error type representing asymmetric atom without specific stereo configuration.RADICAL
Error type represents that atom with radical had found in the moleculeRARE_ELEMENT
Error type represents that rare element had found in the moleculeRATOM
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 groupsRGROUP_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 moleculeSOLVENT
Error type represents that solvent had found in the moleculeSOLVENT_AMBIGOUS
Error type represents that more than one type of solvents had found in the moleculeSTAR
Error type represents that star atom had found in the moleculeSTEREO_CARE_BOX
Error type representing stereo search markers in the moleculeSTEREO_INVERSION_RETENTION_MARK
Error type representing stereo inversion/retention marks in the molecule/reactionSTRAIGHT_DOUBLE_BOND
Error type represents molecules containing "either" double bonds.SUBSTRUCTURE
Error type represents that the needed substructure had foundSUBSTRUCTURE_NOFIX
Error type represents that the needed substructure had found but no data will be available for the fix in the resultTHREE_DIM
Error type represents that 3d coordinates had found in the moleculeUNBALANCED_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 foundVALENCE
Error type represents that valence error had found in the moleculeVALENCE_PROPERTY
Error type representing that an atom has a valence property set.WIGGLY
Error type represents that wiggly bond had found in the moleculeWIGGLY_BOND_TETRAHEDRAL
Error type represents molecules having wiggly bonds on tetrahedral stereo centers
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static StructureCheckerErrorType
valueOf(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.
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Enum Constant Detail
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ABBREVIATED_GROUP
public static final StructureCheckerErrorType ABBREVIATED_GROUP
Error type represents that abbreviated groups had found in the molecule
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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
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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
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ABSENT_CHIRAL_FLAG
public static final StructureCheckerErrorType ABSENT_CHIRAL_FLAG
Error type represents that molecule is chiral, but flag is not added to the molecule
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ABSOLUTE_STEREO_CONFIGURATION
public static final StructureCheckerErrorType ABSOLUTE_STEREO_CONFIGURATION
Error type represents molecules in which all asymmetric centers have absolute stereo configuration
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ALIAS
public static final StructureCheckerErrorType ALIAS
Error type represents that alias values had found in the molecule
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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
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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
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ALIAS_NONE
public static final StructureCheckerErrorType ALIAS_NONE
Error type represents that alias value had found in the molecule
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AROMATICITY
public static final StructureCheckerErrorType AROMATICITY
Error type represents that aromaticity problem had found in the molecule
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ATOM_MAP
public static final StructureCheckerErrorType ATOM_MAP
Error type represents that atom maps had found in the molecule
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ATOM_QUERY_PROPERTY
public static final StructureCheckerErrorType ATOM_QUERY_PROPERTY
Error type representing that an atom has a query property set.
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ATOM_TYPE
public static final StructureCheckerErrorType ATOM_TYPE
Error type represents that atom with the specified symbol had found in the molecule
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ATOM_VALUE
public static final StructureCheckerErrorType ATOM_VALUE
Error type represents that atom values had found in the molecule
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ATROPISOMER
public static final StructureCheckerErrorType ATROPISOMER
Error type represents that atropisomers are found in the molecule
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ATTACHED_DATA
public static final StructureCheckerErrorType ATTACHED_DATA
Error type represents that attached data had found in the molecule
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BOND_ANGLE
public static final StructureCheckerErrorType BOND_ANGLE
Error type represents that bond angle problem had found in the molecule
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BOND_LENGTH
public static final StructureCheckerErrorType BOND_LENGTH
Error type represents that bond length problem had found in the molecule
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BRACKETS
public static final StructureCheckerErrorType BRACKETS
Error type representing that the molecule contains brackets (S-groups).
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CHIRAL_FLAG
public static final StructureCheckerErrorType CHIRAL_FLAG
Error type represents molecules marked with "absolute stereo" flag.
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CIRCULAR_RGROUP_REFERENCE
public static final StructureCheckerErrorType CIRCULAR_RGROUP_REFERENCE
Error type represents that molecule with circular R-group definition found
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COVALENT_COUNTER_ION
public static final StructureCheckerErrorType COVALENT_COUNTER_ION
Error type represents that incorrectly drawn covalent counter ion had found in the molecule
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CROSSED_DOUBLE_BOND
public static final StructureCheckerErrorType CROSSED_DOUBLE_BOND
Error type represents that crossed double bond had found in the molecule
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DOODLE
public static final StructureCheckerErrorType DOODLE
Error type represents that molecule with serious scanning or drawing issue had found
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DOUBLE_BOND_STEREO
public static final StructureCheckerErrorType DOUBLE_BOND_STEREO
Error type represents that molecule contains either double bonds which are not valid
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EMPTY
public static final StructureCheckerErrorType EMPTY
Error type represents that molecule structure was empty
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EXPLICIT_H
public static final StructureCheckerErrorType EXPLICIT_H
Error type represents that explicit hydrogen had found in the molecule
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EXPLICIT_LONE_PAIR
public static final StructureCheckerErrorType EXPLICIT_LONE_PAIR
Error type represents that explicit lone pair had found in the molecule
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EXTERNAL
public static final StructureCheckerErrorType EXTERNAL
Error type for externally developedStructureChecker
classes
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EZ_DOUBLE_BOND
public static final StructureCheckerErrorType EZ_DOUBLE_BOND
Error type represents that molecule contains double bonds, that can be cis or trans
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INCORRECT_TETRAHEDRAL_STEREO
public static final StructureCheckerErrorType INCORRECT_TETRAHEDRAL_STEREO
Represents incorrect/impossible arrangement of wedge bond around chiral centers.
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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
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INVALID_COORD_SYSTEM
public static final StructureCheckerErrorType INVALID_COORD_SYSTEM
Error type represents that invalid coordination system had found in the molecule
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INVALID_REACTION_MAP
public static final StructureCheckerErrorType INVALID_REACTION_MAP
Error type represents that invalid mapping had found in the molecule (represents a reaction)
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INVALID_RGROUP
public static final StructureCheckerErrorType INVALID_RGROUP
Error type represents that molecule with invalid rgroup had found
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INVALID_STEREO
@Deprecated public static final StructureCheckerErrorType INVALID_STEREO
Deprecated.Error type represents that a small ring with trans double bond had found in the molecule
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INVALID_WEDGE
@Deprecated public static final StructureCheckerErrorType INVALID_WEDGE
Deprecated.Error type represents that invalid wedge bond had found in the molecule
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ISOTOPE
public static final StructureCheckerErrorType ISOTOPE
Error type represents that isotpoe atom had found in the molecule
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METALLOCENE
public static final StructureCheckerErrorType METALLOCENE
Error type represents that incorrectly drawn metallocene had found in the molecule
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METALLOCENE_AMBIGUOUS
public static final StructureCheckerErrorType METALLOCENE_AMBIGUOUS
Error type represents that incorrectly drawn metallocenes had found in the molecule
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MISSING_ATOM_MAP
public static final StructureCheckerErrorType MISSING_ATOM_MAP
Error type represents that atom with no atom map had found in the molecule
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MISSING_RGROUP
public static final StructureCheckerErrorType MISSING_RGROUP
Error type represents that molecule with missing R-group definition found
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MOLECULE_CHARGE
public static final StructureCheckerErrorType MOLECULE_CHARGE
Error type represents that the sum charge of the molecule wasn't zero
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MULTI_CENTER
public static final StructureCheckerErrorType MULTI_CENTER
Error type representing that invalid R-group definition is in the molecule
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MULTI_COMPONENT
public static final StructureCheckerErrorType MULTI_COMPONENT
Error type represents that molecule had contained multiple components
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MULTIPLE_STEREO_CENTER
public static final StructureCheckerErrorType MULTIPLE_STEREO_CENTER
Error type represents that molecule contains multiple stereo centers
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NO_ERROR
public static final StructureCheckerErrorType NO_ERROR
Error type for results sign no error. Not used anywhere. Just for completeness
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NON_STANDARD_WEDGE_SCHEME
public static final StructureCheckerErrorType NON_STANDARD_WEDGE_SCHEME
Wedge configuration around a chiral center doesn't follow IUPAC recommendations. Type: warning
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NON_STEREO_WEDGE_BOND
public static final StructureCheckerErrorType NON_STEREO_WEDGE_BOND
The wedge is connected to a non-stereo atom. Type: error
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OVERLAPPING_ATOMS
public static final StructureCheckerErrorType OVERLAPPING_ATOMS
Error type represents that overlapping atoms had found in the molecule
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OVERLAPPING_BONDS
public static final StructureCheckerErrorType OVERLAPPING_BONDS
Error type represents that overlapping bonds had found in the molecule
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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
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PSEUDO_NO_GROUP
public static final StructureCheckerErrorType PSEUDO_NO_GROUP
Error type represents that atom with pseudo property had found in the molecule
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QUERY_ATOM
public static final StructureCheckerErrorType QUERY_ATOM
Error type represents that atom with query properties had found in the molecule
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QUERY_BOND
public static final StructureCheckerErrorType QUERY_BOND
Error type represents that bond with query properties had found in the molecule
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RACEMATE
public static final StructureCheckerErrorType RACEMATE
Error type representing asymmetric atom without specific stereo configuration.
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RADICAL
public static final StructureCheckerErrorType RADICAL
Error type represents that atom with radical had found in the molecule
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RARE_ELEMENT
public static final StructureCheckerErrorType RARE_ELEMENT
Error type represents that rare element had found in the molecule
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RATOM
public static final StructureCheckerErrorType RATOM
Error type representing that the molecule contains R-atom.
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REACTING_CENTER_BOND_MARK
public static final StructureCheckerErrorType REACTING_CENTER_BOND_MARK
Error type represents that molecule contains reacting center bond marks.
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RELATIVE_STEREO
public static final StructureCheckerErrorType RELATIVE_STEREO
Error type represents that molecules having multiple stereogenic center groups
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RGROUP_ATTACHMENT_ERROR
public static final StructureCheckerErrorType RGROUP_ATTACHMENT_ERROR
Error type representing invalid attachments in R-group definitions.
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RGROUP_BRIDGE_RATOM
public static final StructureCheckerErrorType RGROUP_BRIDGE_RATOM
Error type representing invalid R-atoms corresponding to R-group bridge definitions.
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SMALL_RING
public static final StructureCheckerErrorType SMALL_RING
Error type represents that small ring error had found in the molecule
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SOLVENT
public static final StructureCheckerErrorType SOLVENT
Error type represents that solvent had found in the molecule
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SOLVENT_AMBIGOUS
public static final StructureCheckerErrorType SOLVENT_AMBIGOUS
Error type represents that more than one type of solvents had found in the molecule
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STAR
public static final StructureCheckerErrorType STAR
Error type represents that star atom had found in the molecule
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STEREO_CARE_BOX
public static final StructureCheckerErrorType STEREO_CARE_BOX
Error type representing stereo search markers in the molecule
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STEREO_INVERSION_RETENTION_MARK
public static final StructureCheckerErrorType STEREO_INVERSION_RETENTION_MARK
Error type representing stereo inversion/retention marks in the molecule/reaction
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STRAIGHT_DOUBLE_BOND
public static final StructureCheckerErrorType STRAIGHT_DOUBLE_BOND
Error type represents molecules containing "either" double bonds.
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SUBSTRUCTURE
public static final StructureCheckerErrorType SUBSTRUCTURE
Error type represents that the needed substructure had found
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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
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THREE_DIM
public static final StructureCheckerErrorType THREE_DIM
Error type represents that 3d coordinates had found in the molecule
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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.
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UNUSED_RGROUP
public static final StructureCheckerErrorType UNUSED_RGROUP
Error type represents that molecule with unused R-group definition found
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VALENCE
public static final StructureCheckerErrorType VALENCE
Error type represents that valence error had found in the molecule
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VALENCE_PROPERTY
public static final StructureCheckerErrorType VALENCE_PROPERTY
Error type representing that an atom has a valence property set.
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WIGGLY
public static final StructureCheckerErrorType WIGGLY
Error type represents that wiggly bond had found in the molecule
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WIGGLY_BOND_TETRAHEDRAL
public static final StructureCheckerErrorType WIGGLY_BOND_TETRAHEDRAL
Error type represents molecules having wiggly bonds on tetrahedral stereo centers
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Method Detail
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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
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valueOf
public static StructureCheckerErrorType 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 nameNullPointerException
- if the argument is null
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