@TestClass(value="org.openscience.cdk.qsar.descriptors.bond.AtomicNumberDifferenceDescriptorTest") public class AtomicNumberDifferenceDescriptor extends Object implements IBondDescriptor
Constructor and Description |
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AtomicNumberDifferenceDescriptor() |
Modifier and Type | Method and Description |
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DescriptorValue |
calculate(IBond bond,
IAtomContainer ac)
Calculates the descriptor value for the given IBond.
|
String[] |
getDescriptorNames()
Returns an array of names for each descriptor value calculated.
|
String[] |
getParameterNames()
Returns the names of the parameters for this descriptor.
|
Object[] |
getParameters()
Returns the current parameter values.
|
Object |
getParameterType(String name)
Returns a class matching that of the parameter with the given name.
|
DescriptorSpecification |
getSpecification()
Returns a
Map which specifies which descriptor
is implemented by this class. |
void |
setParameters(Object[] params)
Sets the parameters for this descriptor.
|
@TestMethod(value="testGetSpecification") public DescriptorSpecification getSpecification()
IDescriptor
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
IDescriptor
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()
IDescriptor
getParameters
in interface IDescriptor
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_IBond_IAtomContainer,testDescriptor1,testDescriptor2") public DescriptorValue calculate(IBond bond, IAtomContainer ac)
IBondDescriptor
calculate
in interface IBondDescriptor
bond
- A IBond
for which this descriptor
should be calculatedac
- The molecule containing the bondDescriptorValue
that contain the
calculated value as well as specification details@TestMethod(value="testGetParameterNames") public String[] getParameterNames()
IDescriptor
getParameterNames
in interface IDescriptor
@TestMethod(value="testGetParameterType_String") public Object getParameterType(String name)
IDescriptor
getParameterType
in interface IDescriptor
name
- The name of the parameter whose type is requested