toxTree.qsar
Class AbstractQSARModel
java.lang.Object
toxTree.qsar.AbstractQSARModel
- All Implemented Interfaces:
- ambit2.base.data.IModel, java.io.Serializable, IDescriptorBased
- Direct Known Subclasses:
- LinearQSARModel
public abstract class AbstractQSARModel
- extends java.lang.Object
- implements ambit2.base.data.IModel, java.io.Serializable, IDescriptorBased
- See Also:
- Serialized Form
Constructor Summary |
AbstractQSARModel()
|
AbstractQSARModel(java.util.List<java.lang.String> descriptorNames,
java.util.List<org.openscience.cdk.qsar.IMolecularDescriptor> descriptors,
java.lang.String predictedproperty)
|
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
Methods inherited from interface ambit2.base.data.IModel |
build, predict |
logger
protected static transient TTLogger logger
descriptorNames
protected java.util.List<java.lang.String> descriptorNames
flag_calculated
protected java.util.Hashtable<java.lang.String,java.lang.Boolean> flag_calculated
predictedproperty
protected java.lang.String predictedproperty
object
protected java.lang.Object object
name
protected java.lang.String name
AbstractQSARModel
public AbstractQSARModel()
AbstractQSARModel
public AbstractQSARModel(java.util.List<java.lang.String> descriptorNames,
java.util.List<org.openscience.cdk.qsar.IMolecularDescriptor> descriptors,
java.lang.String predictedproperty)
getDescriptors
public java.util.List<org.openscience.cdk.qsar.IMolecularDescriptor> getDescriptors()
setDescriptors
public void setDescriptors(java.util.List<org.openscience.cdk.qsar.IMolecularDescriptor> descriptors)
getObject
public java.lang.Object getObject()
setObject
public void setObject(java.lang.Object object)
predict
public abstract double predict(org.openscience.cdk.interfaces.IAtomContainer ac)
throws ambit2.base.exceptions.QSARModelException
- Throws:
ambit2.base.exceptions.QSARModelException
getDescriptorNames
public java.util.List<java.lang.String> getDescriptorNames()
setDescriptorNames
public void setDescriptorNames(java.util.List<java.lang.String> descriptorNames)
getPredictedproperty
public java.lang.String getPredictedproperty()
setPredictedproperty
public void setPredictedproperty(java.lang.String predictedproperty)
verify
public void verify()
throws ambit2.base.exceptions.QSARModelException
- Throws:
ambit2.base.exceptions.QSARModelException
getName
public java.lang.String getName()
setName
public void setName(java.lang.String name)
toString
public java.lang.String toString()
- Overrides:
toString
in class java.lang.Object
getNumberofDescriptors
public int getNumberofDescriptors()
getDescriptor
public org.openscience.cdk.qsar.IMolecularDescriptor getDescriptor(int index)
getEditor
public IToxTreeEditor getEditor()
isCalculated
public boolean isCalculated(java.lang.String name)
- Specified by:
isCalculated
in interface IDescriptorBased
setCalculated
public void setCalculated(org.openscience.cdk.qsar.IMolecularDescriptor descriptor,
java.lang.String name,
boolean calculated)
- Specified by:
setCalculated
in interface IDescriptorBased
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