public class MDLFileReader
extends java.lang.Object
Constructor and Description |
---|
MDLFileReader(java.io.InputStream inputStream)
Constructor for MDL file reader
|
MDLFileReader(java.io.InputStream inputStream,
org.openscience.cdk.io.IChemObjectReader.Mode mode)
Constructor for MDL file reader
|
MDLFileReader(java.io.Reader reader)
Constructor for MDL file reader
|
MDLFileReader(java.io.Reader reader,
org.openscience.cdk.io.IChemObjectReader.Mode mode)
Constructor for MDL file reader
|
Modifier and Type | Method and Description |
---|---|
org.openscience.cdk.interfaces.IAtomContainer |
getAtomContainer()
Returns read molecule
|
org.openscience.cdk.interfaces.IChemModel |
getChemModelWithMoleculeWithLayoutCheck()
Returns molecule with new layout
|
org.openscience.cdk.interfaces.IAtomContainer |
getMoleculeWithLayoutCheck()
Returns moecule with cleaned Layout
|
public MDLFileReader(java.io.InputStream inputStream, org.openscience.cdk.io.IChemObjectReader.Mode mode) throws java.io.IOException
inputStream
- mode
- java.io.IOException
public MDLFileReader(java.io.InputStream inputStream) throws java.io.IOException, org.openscience.cdk.exception.CDKException
inputStream
- java.io.IOException
org.openscience.cdk.exception.CDKException
public MDLFileReader(java.io.Reader reader) throws java.io.IOException, org.openscience.cdk.exception.CDKException
reader
- java.io.IOException
org.openscience.cdk.exception.CDKException
public MDLFileReader(java.io.Reader reader, org.openscience.cdk.io.IChemObjectReader.Mode mode) throws java.io.IOException
reader
- mode
- java.io.IOException
public org.openscience.cdk.interfaces.IAtomContainer getAtomContainer()
public org.openscience.cdk.interfaces.IAtomContainer getMoleculeWithLayoutCheck()
public org.openscience.cdk.interfaces.IChemModel getChemModelWithMoleculeWithLayoutCheck()