public class RareElementChecker extends AtomTypeChecker
AtomTypeChecker detecting structures containing elements which
are usually rare in organic/drug molecules. The following elemts are considered common:
H, Li, Na, K, Mg, Ca, B, C, N, O, F, Cl, Br, I, Al, P, S, Cr, Mn, Fe, Co, Ni, Cu, Zn.
All other elements are considered rare.PROPERTY_KEY_TYPES, typeserrorType, propertyChangeSupportPROPERTY_KEY_VALID| Constructor and Description |
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RareElementChecker()
Default constructor
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| Modifier and Type | Method and Description |
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protected boolean |
check(Molecule molecule,
MolAtom component)
Checks if the component with index i has problem
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getTypes, setTypescreateResult, getComponent, getComponentCountcheck1, initializeaddPropertyChangeListener, addPropertyChangeListener, check, clone, cloneItem, convertResult, equals, expandMolecule, 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, toStringprotected boolean check(Molecule molecule, MolAtom component)
ComponentCheckercheck in class AtomTypeCheckermolecule - is a Molecule instancecomponent - the current component to check