public class AtomDegreeDescriptor extends AbstractAtomicDescriptor implements IAtomicDescriptor
Name | Default | Description |
no parameters |
Constructor and Description |
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AtomDegreeDescriptor() |
Modifier and Type | Method and Description |
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DescriptorValue |
calculate(IAtom atom,
IAtomContainer container)
This method calculates the number of not-H substituents of an atom.
|
String[] |
getDescriptorNames()
Returns an array of names for each descriptor value calculated.
|
String[] |
getParameterNames()
Gets the parameterNames attribute of the AtomDegreeDescriptor object.
|
Object[] |
getParameters()
Gets the parameters attribute of the AtomDegreeDescriptor object.
|
Object |
getParameterType(String name)
Gets the parameterType attribute of the AtomDegreeDescriptor object.
|
DescriptorSpecification |
getSpecification()
Returns a
IImplementationSpecification which specifies which descriptor
is implemented by this class. |
void |
initialise(IChemObjectBuilder builder)
Default implementation of initialise allows optional override.
|
void |
setParameters(Object[] params)
This descriptor does not have any parameter to be set.
|
cacheDescriptorValue, getCachedDescriptorValue, isCachedAtomContainer
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
initialise
public DescriptorSpecification getSpecification()
IDescriptor
IImplementationSpecification
which specifies which descriptor
is implemented by this class.
These fields are used in the map:
getSpecification
in interface IDescriptor
public void setParameters(Object[] params) throws CDKException
setParameters
in interface IDescriptor
params
- An array of Object containing the parameters for this descriptorCDKException
- if invalid number of type of parameters are passed to itIDescriptor.getParameters()
public Object[] getParameters()
getParameters
in interface IDescriptor
setParameters(java.lang.Object[])
public String[] getDescriptorNames()
IDescriptor
ALOGPDescriptor
the return array will have a single elementgetDescriptorNames
in interface IDescriptor
public DescriptorValue calculate(IAtom atom, IAtomContainer container)
calculate
in interface IAtomicDescriptor
atom
- The IAtom for which the DescriptorValue is requestedcontainer
- The IAtomContainer
for which this descriptor is to be calculated forpublic String[] getParameterNames()
getParameterNames
in interface IDescriptor
public Object getParameterType(String name)
getParameterType
in interface IDescriptor
name
- Description of the Parameterpublic void initialise(IChemObjectBuilder builder)
initialise
in interface IDescriptor
builder
- chem object buildCopyright © 2021. All rights reserved.