ambit2.descriptors

Class FunctionalGroup

java.lang.Object

ambit2.base.data.AmbitBean

ambit2.descriptors.FunctionalGroup

All Implemented Interfaces:

Serializable, net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,VerboseDescriptorResult>

public class FunctionalGroup
extends AmbitBean
implements net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,VerboseDescriptorResult>

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected boolean	enabled
protected Hashtable<String,String>	properties
protected ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer>	query
protected static String	t_example
protected static String	t_family
protected static String	t_group
protected static String	t_hint
protected static String	t_name
protected static String	t_smarts
protected boolean	verboseMatch

Constructor Summary

Constructors

Constructor and Description
FunctionalGroup()
FunctionalGroup(String name, String smarts, String hint)
FunctionalGroup(String name, String smarts, String hint, String family)
FunctionalGroup(String name, String smarts, String hint, String family, String example)

Method Summary

Modifier and Type	Method and Description
void	clear()
void	close()
String	getExample()
String	getFamily()
String	getHint()
long	getID()
String	getName()
ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer>	getQuery()
String	getSmarts()
boolean	isEnabled()
boolean	isVerboseMatch()
void	open()
VerboseDescriptorResult	process(org.openscience.cdk.interfaces.IAtomContainer target)
void	setEnabled(boolean enabled)
void	setExample(String name)
void	setFamily(String family)
void	setHint(String hint)
void	setName(String name)
void	setQuery(ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> query)
void	setSmarts(String smarts)
void	setVerboseMatch(boolean verboseMatch)
String	toString()
Element	toXML(Document document)

Methods inherited from class ambit2.base.data.AmbitBean

clone

Methods inherited from class java.lang.Object

equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

t_group

protected static final String t_group

See Also:

Constant Field Values

t_name

protected static final String t_name

See Also:

Constant Field Values

t_smarts

protected static final String t_smarts

See Also:

Constant Field Values

t_hint

protected static final String t_hint

See Also:

Constant Field Values

t_family

protected static final String t_family

See Also:

Constant Field Values

t_example

protected static final String t_example

See Also:

Constant Field Values

properties

protected Hashtable<String,String> properties

query

protected ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> query

enabled

protected boolean enabled

verboseMatch

protected boolean verboseMatch

Constructor Detail

FunctionalGroup

public FunctionalGroup()

FunctionalGroup

public FunctionalGroup(String name,
                       String smarts,
                       String hint,
                       String family)

FunctionalGroup

public FunctionalGroup(String name,
                       String smarts,
                       String hint,
                       String family,
                       String example)

FunctionalGroup

public FunctionalGroup(String name,
                       String smarts,
                       String hint)

Method Detail

getQuery

public ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> getQuery()

getID

public long getID()

Specified by:

getID in interface net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,VerboseDescriptorResult>

setQuery

public void setQuery(ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer> query)
              throws SMARTSException

Throws:

SMARTSException

isVerboseMatch

public boolean isVerboseMatch()

setVerboseMatch

public void setVerboseMatch(boolean verboseMatch)

isEnabled

public boolean isEnabled()

Specified by:

isEnabled in interface net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,VerboseDescriptorResult>

setEnabled

public void setEnabled(boolean enabled)

Specified by:

setEnabled in interface net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,VerboseDescriptorResult>

clear

public void clear()

getFamily

public String getFamily()

getHint

public String getHint()

getName

public String getName()

getSmarts

public String getSmarts()

getExample

public String getExample()

setName

public void setName(String name)

setExample

public void setExample(String name)

setSmarts

public void setSmarts(String smarts)

setHint

public void setHint(String hint)

setFamily

public void setFamily(String family)

toString

public String toString()

Overrides:

toString in class Object

toXML

public Element toXML(Document document)
              throws net.idea.modbcum.i.exceptions.AmbitException

Throws:

net.idea.modbcum.i.exceptions.AmbitException

process

public VerboseDescriptorResult process(org.openscience.cdk.interfaces.IAtomContainer target)
                                throws net.idea.modbcum.i.exceptions.AmbitException

Specified by:

process in interface net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,VerboseDescriptorResult>

Throws:

net.idea.modbcum.i.exceptions.AmbitException

open

public void open()
          throws Exception

Specified by:

open in interface net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,VerboseDescriptorResult>

Throws:

Exception

close

public void close()
           throws Exception

Specified by:

close in interface net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,VerboseDescriptorResult>

Throws:

Exception