ambit2.core.processors.structure.key
Class SmilesKey
java.lang.Object
ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
ambit2.core.processors.structure.key.SmilesKey
- All Implemented Interfaces:
- ambit2.base.interfaces.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>, IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>, java.io.Serializable
public class SmilesKey
- extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
- implements IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
Returns smiles, given the structure
- See Also:
- Serialized Form
Field Summary |
protected org.openscience.cdk.smiles.SmilesGenerator |
gen
|
protected java.lang.Object |
key
|
Fields inherited from class ambit2.base.processors.DefaultAmbitProcessor |
enabled, logger, propertyChangeSupport |
Method Summary |
java.lang.Object |
getKey()
|
java.lang.Object |
getQueryKey()
|
java.lang.Class |
getType()
|
java.lang.String |
process(org.openscience.cdk.interfaces.IAtomContainer molecule)
|
void |
setKey(java.lang.Object key)
|
Methods inherited from class ambit2.base.processors.DefaultAmbitProcessor |
addPropertyChangeListener, addPropertyChangeListener, getID, isEnabled, removePropertyChangeListener, removePropertyChangeListener, setEnabled, toString |
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
Methods inherited from interface ambit2.base.interfaces.IProcessor |
getID, isEnabled, setEnabled |
gen
protected org.openscience.cdk.smiles.SmilesGenerator gen
key
protected java.lang.Object key
SmilesKey
public SmilesKey()
getKey
public java.lang.Object getKey()
- Specified by:
getKey
in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
setKey
public void setKey(java.lang.Object key)
process
public java.lang.String process(org.openscience.cdk.interfaces.IAtomContainer molecule)
throws ambit2.base.exceptions.AmbitException
- Specified by:
process
in interface ambit2.base.interfaces.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
- Throws:
ambit2.base.exceptions.AmbitException
getQueryKey
public java.lang.Object getQueryKey()
- Specified by:
getQueryKey
in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
getType
public java.lang.Class getType()
- Specified by:
getType
in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>