Package chemaxon.checkers
Class RatomChecker
- java.lang.Object
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- chemaxon.checkers.AbstractStructureChecker
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- chemaxon.checkers.RatomChecker
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- All Implemented Interfaces:
StructureChecker
,chemaxon.license.Licensable
,PropertyChangeListener
,Cloneable
,EventListener
@PublicAPI public class RatomChecker extends AbstractStructureChecker
A descendant ofAbstractStructureChecker
detecting R-atoms.- Since:
- Marvin 5.7
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Field Summary
Fields Modifier and Type Field Description static String
PROPERTY_KEY_SEARCH_ALL
This constantString
represents the name of the property which is responsible for searching all ratoms in the moleculestatic String
PROPERTY_KEY_SEARCH_DISCONNECTED
This constantString
represents the name of the property which is responsible for searching disconnected ratoms in the moleculestatic String
PROPERTY_KEY_SEARCH_GENERIC
This constantString
represents the name of the property which is responsible for searching generic ratoms in the moleculestatic String
PROPERTY_KEY_SEARCH_LINKER
This private constantString
represents the name of the property which is responsible for searching linker ratoms in the moleculestatic String
PROPERTY_KEY_SEARCH_NESTED
This private constantString
represents the name of the property which is responsible for searching nested ratoms in the molecule-
Fields inherited from class chemaxon.checkers.AbstractStructureChecker
errorType, propertyChangeSupport
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Fields inherited from interface chemaxon.checkers.StructureChecker
PROPERTY_KEY_VALID
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Constructor Summary
Constructors Constructor Description RatomChecker()
Creates a new anyChecker instance detecting all R-atoms.RatomChecker(Map<String,String> params)
Creates a new anyChecker instance reading checking options from the params argument.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description protected StructureCheckerResult
check1(Molecule molecule)
This method contains the current checking mechanism.boolean
isSearchAll()
Gets the option determining if the checker detects all R-atoms or not.boolean
isSearchDisconnected()
Gets the option determining if the checker detects R-atoms not connected to any other atoms or not.boolean
isSearchGeneric()
Gets the option determining if the checker detects R-atoms without identifier numbers or not.boolean
isSearchLinker()
Gets the option determining if the checker detects R-atoms with more than one connection or not.boolean
isSearchNested()
Gets the option determining if the checker detects R-atoms within R-groups or not.void
setSearchAll(boolean value)
Sets the option determining if the checker detects all R-atoms or not.void
setSearchDisconnected(boolean value)
Sets the option determining if the checker detects R-atoms not connected to any other atoms or not.void
setSearchGeneric(boolean value)
Sets the option determining if the checker detects R-atoms without identifier numbers or not.void
setSearchLinker(boolean value)
Sets the option determining if the checker detects R-atoms with more than one connection or not.void
setSearchNested(boolean value)
Sets the option determining if the checker detects R-atoms within R-groups or not.-
Methods inherited from class chemaxon.checkers.AbstractStructureChecker
addPropertyChangeListener, 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, toString
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Field Detail
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PROPERTY_KEY_SEARCH_ALL
public static final String PROPERTY_KEY_SEARCH_ALL
This constantString
represents the name of the property which is responsible for searching all ratoms in the molecule- Since:
- 5.7
- See Also:
- Constant Field Values
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PROPERTY_KEY_SEARCH_DISCONNECTED
public static final String PROPERTY_KEY_SEARCH_DISCONNECTED
This constantString
represents the name of the property which is responsible for searching disconnected ratoms in the molecule- Since:
- 5.7
- See Also:
- Constant Field Values
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PROPERTY_KEY_SEARCH_GENERIC
public static final String PROPERTY_KEY_SEARCH_GENERIC
This constantString
represents the name of the property which is responsible for searching generic ratoms in the molecule- Since:
- 5.7
- See Also:
- Constant Field Values
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PROPERTY_KEY_SEARCH_LINKER
public static final String PROPERTY_KEY_SEARCH_LINKER
This private constantString
represents the name of the property which is responsible for searching linker ratoms in the molecule- Since:
- 5.7
- See Also:
- Constant Field Values
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PROPERTY_KEY_SEARCH_NESTED
public static final String PROPERTY_KEY_SEARCH_NESTED
This private constantString
represents the name of the property which is responsible for searching nested ratoms in the molecule- Since:
- 5.7
- See Also:
- Constant Field Values
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Method Detail
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check1
protected StructureCheckerResult check1(Molecule molecule)
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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isSearchAll
public boolean isSearchAll()
Gets the option determining if the checker detects all R-atoms or not.- Returns:
- true if all R-atoms are detected
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isSearchDisconnected
public boolean isSearchDisconnected()
Gets the option determining if the checker detects R-atoms not connected to any other atoms or not.- Returns:
- true if the nested R-atoms are detected
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isSearchGeneric
public boolean isSearchGeneric()
Gets the option determining if the checker detects R-atoms without identifier numbers or not.- Returns:
- true if the generic R-atoms are detected
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isSearchLinker
public boolean isSearchLinker()
Gets the option determining if the checker detects R-atoms with more than one connection or not.- Returns:
- true if the linker R-atoms are detected
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isSearchNested
public boolean isSearchNested()
Gets the option determining if the checker detects R-atoms within R-groups or not.- Returns:
- true if the nested R-atoms are detected
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setSearchAll
public void setSearchAll(boolean value)
Sets the option determining if the checker detects all R-atoms or not.- Parameters:
value
- if true, all R-atoms are detected
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setSearchDisconnected
public void setSearchDisconnected(boolean value)
Sets the option determining if the checker detects R-atoms not connected to any other atoms or not.- Parameters:
value
- if true, disconnected R-atoms are detected
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setSearchGeneric
public void setSearchGeneric(boolean value)
Sets the option determining if the checker detects R-atoms without identifier numbers or not.- Parameters:
value
- if true, generic R-atoms are detected
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setSearchLinker
public void setSearchLinker(boolean value)
Sets the option determining if the checker detects R-atoms with more than one connection or not.- Parameters:
value
- if true, linker R-atoms are detected
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setSearchNested
public void setSearchNested(boolean value)
Sets the option determining if the checker detects R-atoms within R-groups or not.- Parameters:
value
- if true, nested R-atoms are detected
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