@TestClass(value="org.openscience.cdk.qsar.descriptors.atomic.CovalentRadiusDescriptorTest") public class CovalentRadiusDescriptor extends Object implements IAtomicDescriptor
This descriptor uses these parameters:
Name | Default | Description |
no parameters |
Constructor and Description |
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CovalentRadiusDescriptor()
Constructor for the CovalentRadiusDescriptor object.
|
Modifier and Type | Method and Description |
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DescriptorValue |
calculate(IAtom atom,
IAtomContainer container)
This method calculate the Covalent radius of an atom.
|
String[] |
getDescriptorNames()
Returns an array of names for each descriptor value calculated.
|
String[] |
getParameterNames()
Gets the parameterNames attribute of the VdWRadiusDescriptor object.
|
Object[] |
getParameters()
Gets the parameters attribute of the VdWRadiusDescriptor object.
|
Object |
getParameterType(String name)
Gets the parameterType attribute of the VdWRadiusDescriptor object.
|
DescriptorSpecification |
getSpecification()
Returns a
Map which specifies which descriptor
is implemented by this class. |
void |
setParameters(Object[] params)
This descriptor does have any parameter.
|
public CovalentRadiusDescriptor() throws IOException, ClassNotFoundException
IOException
- if an error ocurrs when reading atom type informationClassNotFoundException
- if an error occurs during tom typing@TestMethod(value="testGetSpecification") public DescriptorSpecification getSpecification()
Map
which specifies which descriptor
is implemented by this class.
These fields are used in the map:
getSpecification
in interface IDescriptor
@TestMethod(value="testSetParameters_arrayObject") 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()
@TestMethod(value="testGetParameters") public Object[] getParameters()
getParameters
in interface IDescriptor
setParameters(java.lang.Object[])
@TestMethod(value="testNamesConsistency") public String[] getDescriptorNames()
IDescriptor
ALOGPDescriptor
the return array will have a single element
getDescriptorNames
in interface IDescriptor
@TestMethod(value="testCalculate_IAtomContainer") public DescriptorValue calculate(IAtom atom, IAtomContainer container)
calculate
in interface IAtomicDescriptor
atom
- The IAtom for which the DescriptorValue is requestedcontainer
- The IAtomContainer
for which the descriptor is to be calculated@TestMethod(value="testGetParameterNames") public String[] getParameterNames()
getParameterNames
in interface IDescriptor
@TestMethod(value="testGetParameterType_String") public Object getParameterType(String name)
getParameterType
in interface IDescriptor
name
- Description of the Parameter