mutant.descriptors
Class DescriptorStructurePresence<T>
java.lang.Object
mutant.descriptors.DescriptorStructurePresence<T>
- All Implemented Interfaces:
- org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor
- Direct Known Subclasses:
- DescriptorBridgedBiphenyl, DescriptorHasNO2Group, DescriptorIsAniline
public abstract class DescriptorStructurePresence<T>
- extends java.lang.Object
- implements org.openscience.cdk.qsar.IMolecularDescriptor
Methods inherited from class java.lang.Object |
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
logger
protected static TTLogger logger
paramNames
protected java.lang.String[] paramNames
fragment
protected ambit2.smarts.query.ISmartsPattern<T> fragment
resultName
protected java.lang.String resultName
DescriptorStructurePresence
public DescriptorStructurePresence()
getSMARTS
public java.lang.String getSMARTS()
createSmartsPattern
protected abstract ambit2.smarts.query.ISmartsPattern<T> createSmartsPattern()
setSMARTS
public void setSMARTS(java.lang.String smarts)
throws ambit2.smarts.query.SMARTSException
- Throws:
ambit2.smarts.query.SMARTSException
calculate
public org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer container)
- Specified by:
calculate
in interface org.openscience.cdk.qsar.IMolecularDescriptor
getDescriptorResultType
public org.openscience.cdk.qsar.result.IDescriptorResult getDescriptorResultType()
- Specified by:
getDescriptorResultType
in interface org.openscience.cdk.qsar.IMolecularDescriptor
getParameterNames
public java.lang.String[] getParameterNames()
- Specified by:
getParameterNames
in interface org.openscience.cdk.qsar.IDescriptor
getParameterType
public java.lang.Object getParameterType(java.lang.String name)
- Specified by:
getParameterType
in interface org.openscience.cdk.qsar.IDescriptor
getParameters
public java.lang.Object[] getParameters()
- Specified by:
getParameters
in interface org.openscience.cdk.qsar.IDescriptor
getSpecification
public org.openscience.cdk.qsar.DescriptorSpecification getSpecification()
- Specified by:
getSpecification
in interface org.openscience.cdk.qsar.IDescriptor
setParameters
public void setParameters(java.lang.Object[] params)
throws org.openscience.cdk.exception.CDKException
- Specified by:
setParameters
in interface org.openscience.cdk.qsar.IDescriptor
- Throws:
org.openscience.cdk.exception.CDKException
getParamNames
public java.lang.String[] getParamNames()
setParamNames
public void setParamNames(java.lang.String[] paramNames)
setResultName
public void setResultName(java.lang.String resultName)
getResultName
public java.lang.String getResultName()
toString
public java.lang.String toString()
- Overrides:
toString
in class java.lang.Object
getDescriptorNames
public java.lang.String[] getDescriptorNames()
- Specified by:
getDescriptorNames
in interface org.openscience.cdk.qsar.IDescriptor
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