public class SMILESReader extends DefaultChemObjectReader
COC ethoxy ethaneThus first the SMILES, and then after the first space (or tab) on the line a title that is stored as
CDKConstants.TITLE
. For legacy comparability the
title is also placed in a "SMIdbNAME" property. If a line is invalid an empty
molecule is inserted into the container set. The molecule with have the prop
IteratingSMILESReader.BAD_SMILES_INPUT
set to the input line that
could not be read.
For each line a molecule is generated, and multiple Molecules are read as MoleculeSet.
IteratingSMILESReader
IChemObjectReader.Mode
errorHandler, mode
Constructor and Description |
---|
SMILESReader() |
SMILESReader(InputStream input) |
SMILESReader(Reader input)
Construct a new reader from a Reader and a specified builder object.
|
Modifier and Type | Method and Description |
---|---|
boolean |
accepts(Class<? extends IChemObject> classObject)
Returns whether the given
IChemObject can be read or written. |
void |
close()
Closes this IChemObjectIO's resources.
|
IResourceFormat |
getFormat()
Returns the
IResourceFormat class for this IO class. |
<T extends IChemObject> |
read(T object)
Reads the content from a XYZ input.
|
void |
setReader(InputStream input)
Sets the InputStream from which this ChemObjectReader should read
the contents.
|
void |
setReader(Reader input)
Sets the Reader from which this ChemObjectReader should read
the contents.
|
fireFrameRead, handleError, handleError, handleError, handleError, setErrorHandler, setReaderMode
addChemObjectIOListener, addSetting, addSettings, fireIOSettingQuestion, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
addChemObjectIOListener, addSetting, addSettings, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
public SMILESReader(Reader input)
input
- The Reader object from which to read structurespublic SMILESReader(InputStream input)
public SMILESReader()
public IResourceFormat getFormat()
IChemObjectIO
IResourceFormat
class for this IO class.public void setReader(Reader input) throws CDKException
IChemObjectReader
CDKException
public void setReader(InputStream input) throws CDKException
IChemObjectReader
CDKException
public boolean accepts(Class<? extends IChemObject> classObject)
IChemObjectIO
IChemObject
can be read or written.classObject
- IChemObject
of which is tested if it can be handled.IChemObject
can be handled.public <T extends IChemObject> T read(T object) throws CDKException
IChemObject
of type IChemFile
.object
- class must be of type ChemFileCDKException
- it is thrown if
the type of information is not available from
the inputIChemFile
public void close() throws IOException
IChemObjectIO
IOException
- when the wrapper IO class cannot be closed.Copyright © 2018. All Rights Reserved.