CdkTools

java.lang.Object

qsardes.cdk.CdkTools

public final class CdkTools extends Object

This class provides tools to get and organize data from CDK descriptor classes.

Constructor Summary

Constructors

Constructor

Description

CdkTools()

Constructs the CDK tools class.
Method Summary

Modifier and Type

Method

Description

List<String>

get_descriptor_names(org.openscience.cdk.qsar.IMolecularDescriptor descr)

Gets CDK descriptor names.

List<String>

get_descriptor_names(org.openscience.cdk.qsar.IMolecularDescriptor descr, Object[] params)

Gets CDK descriptor names.

Map<String,String>

get_empty_map(org.openscience.cdk.qsar.IMolecularDescriptor descr)

Gets CDK descriptor empty map.

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details
- CdkTools
  
  public CdkTools()
  
  Constructs the CDK tools class.
Method Details
- get_empty_map
  
  public Map<String,String> get_empty_map(org.openscience.cdk.qsar.IMolecularDescriptor descr)
  
  Gets CDK descriptor empty map.
  
  Parameters:
  
  descr - CDK descriptor class.
  
  Returns:
  
  Descriptor no-values mapped as name:NaN.
- get_descriptor_names
  
  public List<String> get_descriptor_names(org.openscience.cdk.qsar.IMolecularDescriptor descr)
  
  Gets CDK descriptor names.
  
  Parameters:
  
  descr - CDK descriptor class.
  
  Returns:
  
  Descriptor names.
- get_descriptor_names
  
  public List<String> get_descriptor_names(org.openscience.cdk.qsar.IMolecularDescriptor descr, Object[] params)
  
  Gets CDK descriptor names.
  
  Parameters:
  
  descr - CDK descriptor class.
  
  params - CDK descriptor parameters.
  
  Returns:
  
  Descriptor names.