Package org.openscience.cdk.io
Class RGroupQueryReader
- java.lang.Object
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- org.openscience.cdk.io.ChemObjectIO
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- org.openscience.cdk.io.DefaultChemObjectReader
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- org.openscience.cdk.io.RGroupQueryReader
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- All Implemented Interfaces:
Closeable
,AutoCloseable
,IChemObjectIO
,IChemObjectReader
,ISimpleChemObjectReader
public class RGroupQueryReader extends DefaultChemObjectReader
A reader for Symyx' Rgroup files (RGFiles). An RGfile describes a single molecular query with Rgroups. Each RGfile is a combination of Ctabs defining the root molecule and each member of each Rgroup in the query.The RGFile format is described in the manual "CTFile Formats" , Chapter 5.
- Author:
- Mark Rijnbeek
- Source code:
- main
- Belongs to CDK module:
- io
- Keywords:
- Rgroup, R group, R-group
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Nested Class Summary
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Nested classes/interfaces inherited from interface org.openscience.cdk.io.IChemObjectReader
IChemObjectReader.Mode
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Field Summary
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Fields inherited from class org.openscience.cdk.io.DefaultChemObjectReader
errorHandler, mode
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Constructor Summary
Constructors Constructor Description RGroupQueryReader()
Default constructor, input not set.RGroupQueryReader(InputStream in)
Constructs a new RgroupQueryReader that can read RgroupAtomContainerSet from a given InputStream.RGroupQueryReader(Reader in)
Constructs a new RgroupQueryReader that can read RgroupAtomContainerSet from a given Reader.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description boolean
accepts(Class<? extends IChemObject> classObject)
Returns whether the givenIChemObject
can be read or written.void
close()
Closes this IChemObjectIO's resources.IResourceFormat
getFormat()
Returns theIResourceFormat
class for this IO class.<T extends IChemObject>
Tread(T object)
Check input IChemObject and proceed to parse.void
setReader(InputStream input)
Sets the InputStream from which this ChemObjectReader should read the contents.void
setReader(Reader input)
Sets the input Reader.-
Methods inherited from class org.openscience.cdk.io.DefaultChemObjectReader
fireFrameRead, handleError, handleError, handleError, handleError, setErrorHandler, setReaderMode
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Methods inherited from class org.openscience.cdk.io.ChemObjectIO
addChemObjectIOListener, addSetting, addSettings, fireIOSettingQuestion, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
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Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
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Methods inherited from interface org.openscience.cdk.io.IChemObjectIO
addChemObjectIOListener, addSetting, addSettings, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
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Constructor Detail
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RGroupQueryReader
public RGroupQueryReader()
Default constructor, input not set.
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RGroupQueryReader
public RGroupQueryReader(InputStream in)
Constructs a new RgroupQueryReader that can read RgroupAtomContainerSet from a given InputStream.- Parameters:
in
- The InputStream to read from.
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RGroupQueryReader
public RGroupQueryReader(Reader in)
Constructs a new RgroupQueryReader that can read RgroupAtomContainerSet from a given Reader.- Parameters:
in
- The Reader to read from.
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Method Detail
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setReader
public void setReader(Reader input) throws CDKException
Sets the input Reader.- Parameters:
input
- Reader object- Throws:
CDKException
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setReader
public void setReader(InputStream input) throws CDKException
Description copied from interface:IChemObjectReader
Sets the InputStream from which this ChemObjectReader should read the contents.- Throws:
CDKException
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getFormat
public IResourceFormat getFormat()
Description copied from interface:IChemObjectIO
Returns theIResourceFormat
class for this IO class.
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accepts
public boolean accepts(Class<? extends IChemObject> classObject)
Description copied from interface:IChemObjectIO
Returns whether the givenIChemObject
can be read or written.- Parameters:
classObject
-IChemObject
of which is tested if it can be handled.- Returns:
- true, if the
IChemObject
can be handled.
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close
public void close() throws IOException
Description copied from interface:IChemObjectIO
Closes this IChemObjectIO's resources.- Throws:
IOException
- when the wrapper IO class cannot be closed.
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read
public <T extends IChemObject> T read(T object) throws CDKException
Check input IChemObject and proceed to parse. Accepts/returns IChemObject of type RGroupQuery only.- Parameters:
object
- class must be of type RGroupQuery- Returns:
- IChemObject read from file
- Throws:
CDKException
- it is thrown if the type of information is not available from the input
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