Package chemaxon.checkers
Class BondAngleChecker
java.lang.Object
chemaxon.checkers.AbstractStructureChecker
chemaxon.checkers.BondAngleChecker
- All Implemented Interfaces:
StructureChecker
,chemaxon.license.Licensable
,PropertyChangeListener
,Cloneable
,EventListener
Bond Angle Checker detects wrong bond angles in 2D structures.
- Since:
- Marvin 6.4
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Field Summary
Fields inherited from class chemaxon.checkers.AbstractStructureChecker
errorType, propertyChangeSupport
Fields inherited from interface chemaxon.checkers.StructureChecker
PROPERTY_KEY_VALID
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Constructor Summary
ConstructorDescriptionDefault constructorBondAngleChecker
(double tolerance) Deprecated.Not used. -
Method Summary
Modifier and TypeMethodDescriptionprotected StructureCheckerResult
This method contains the current checking mechanism.protected Molecule
Returns the original molecule if no groups to expand, or the clone of the original molecule with expanded groups.Methods inherited from class chemaxon.checkers.AbstractStructureChecker
addPropertyChangeListener, addPropertyChangeListener, check, clone, cloneItem, convertResult, equals, getDescription, getDescriptor, getEditorClassName, getErrorCode, getErrorDescription, getErrorType, getHelpText, getIcon, getLocalMenuName, getName, hashCode, isAvailable, isLicensed, isValid, propertyChange, removePropertyChangeListener, removePropertyChangeListener, setDescription, setHelpText, setIcon, setLicenseEnvironment, setLocalMenuName, setMoreErrorMessage, setName, setNoErrorMessage, setOneErrorMessage, toString
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Constructor Details
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BondAngleChecker
public BondAngleChecker()Default constructor -
BondAngleChecker
Deprecated.Not used.Parameterized constructor. The given tolerance will be used during the checking mechanism.- Parameters:
tolerance
- is a double value representing the maximum difference which is acceptable by the algorithm- Since:
- 5.4
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Method Details
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check1
Description copied from class:AbstractStructureChecker
This method contains the current checking mechanism.- Specified by:
check1
in classAbstractStructureChecker
- Parameters:
molecule
- theMolecule
instance to be checked for problems- Returns:
- a
StructureCheckerResult
which represents the problem or null if no problem found
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expandMolecule
protected Molecule expandMolecule(Molecule molecule, Map<MolAtom, MolAtom> atomMap, Map<MolBond, MolBond> bondMap) Description copied from class:AbstractStructureChecker
Returns the original molecule if no groups to expand, or the clone of the original molecule with expanded groups.- Overrides:
expandMolecule
in classAbstractStructureChecker
- Parameters:
molecule
- the molecule to check- Returns:
- the original molecule, or a clone with expanded sgroups
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