Package org.openscience.cdk.io
Class Mol2Writer
java.lang.Object
org.openscience.cdk.io.ChemObjectIO
org.openscience.cdk.io.DefaultChemObjectWriter
org.openscience.cdk.io.Mol2Writer
- All Implemented Interfaces:
Closeable
,AutoCloseable
,IChemObjectIO
,IChemObjectWriter
An output Writer that writes molecular data into the
Tripos Mol2 format.
Writes the atoms and the bonds only at this moment.
- Author:
- Egon Willighagen
- Source code:
- main
- Belongs to CDK module:
- io
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Constructor Summary
ConstructorsConstructorDescriptionMol2Writer
(OutputStream output) Mol2Writer
(Writer out) Constructs a new Mol2 writer. -
Method Summary
Modifier and TypeMethodDescriptionboolean
accepts
(Class<? extends IChemObject> classObject) Returns whether the givenIChemObject
can be read or written.void
close()
Flushes the output and closes this object.Returns theIResourceFormat
class for this IO class.void
setWriter
(OutputStream output) Sets the OutputStream from which this ChemObjectWriter should write the contents.void
Sets the Writer from which this ChemObjectWriter should write the contents.void
write
(IChemObject object) Writes the content of "object" to output.void
Writes a single frame in XYZ format to the Writer.Methods inherited from class org.openscience.cdk.io.ChemObjectIO
addChemObjectIOListener, addSetting, addSettings, fireIOSettingQuestion, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
Methods inherited from interface org.openscience.cdk.io.IChemObjectIO
addChemObjectIOListener, addSetting, addSettings, getIOSettings, getListeners, getSetting, getSetting, getSettings, hasSetting, removeChemObjectIOListener
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Constructor Details
-
Mol2Writer
public Mol2Writer() -
Mol2Writer
Constructs a new Mol2 writer.- Parameters:
out
- the stream to write the Mol2 file to.
-
Mol2Writer
-
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Method Details
-
getFormat
Description copied from interface:IChemObjectIO
Returns theIResourceFormat
class for this IO class. -
setWriter
Description copied from interface:IChemObjectWriter
Sets the Writer from which this ChemObjectWriter should write the contents.- Throws:
CDKException
-
setWriter
Description copied from interface:IChemObjectWriter
Sets the OutputStream from which this ChemObjectWriter should write the contents.- Throws:
CDKException
-
close
Flushes the output and closes this object.- Throws:
IOException
- when the wrapper IO class cannot be closed.
-
accepts
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.
-
write
Description copied from interface:IChemObjectWriter
Writes the content of "object" to output.- Parameters:
object
- the object of which the content is outputted- Throws:
CDKException
- is thrown if the output does not support the data in the object
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writeMolecule
Writes a single frame in XYZ format to the Writer.- Parameters:
mol
- the Molecule to write- Throws:
IOException
- if there is an error during writing
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