public class RXNFileImporter
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
protected org.openscience.cdk.interfaces.IAtomContainer |
atomContainer |
static java.lang.String |
RXN |
Constructor and Description |
---|
RXNFileImporter()
Creates a new instance of RXNFileImporter
|
Modifier and Type | Method and Description |
---|---|
org.openscience.cdk.interfaces.IAtomContainerSet |
getProducts() |
org.openscience.cdk.interfaces.IAtomContainerSet |
getReactants() |
org.openscience.cdk.interfaces.IReaction |
getReaction() |
void |
readFile(java.lang.String File) |
public static final java.lang.String RXN
protected org.openscience.cdk.interfaces.IAtomContainer atomContainer
public RXNFileImporter()
public void readFile(java.lang.String File) throws java.io.IOException
File
- java.io.IOException
public org.openscience.cdk.interfaces.IAtomContainerSet getReactants()
public org.openscience.cdk.interfaces.IAtomContainerSet getProducts()
public org.openscience.cdk.interfaces.IReaction getReaction()