Package org.openscience.cdk.libio.cml
Class QSARCustomizer
java.lang.Object
org.openscience.cdk.libio.cml.QSARCustomizer
- All Implemented Interfaces:
ICMLCustomizer
Customizer for the libio-cml Convertor to be able to export details for
QSAR descriptors calculated for Molecules.
- Author:
- egonw
- Source code:
- main
- Belongs to CDK module:
- qsarcml
- Created on:
- 2005-05-04
- Requires:
- java1.5+
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
customize
(IAtomContainer molecule, Object nodeToAdd) Customized the nodeToAdd for the given Molecule.void
Customized the nodeToAdd for the given Atom.void
Customized the nodeToAdd for the given IBond.
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Constructor Details
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QSARCustomizer
public QSARCustomizer()
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Method Details
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customize
Description copied from interface:ICMLCustomizer
Customized the nodeToAdd for the given IBond.- Specified by:
customize
in interfaceICMLCustomizer
- Parameters:
bond
- Bond to base the customization onnodeToAdd
- XOM Element to customize- Throws:
Exception
- thrown if nodeToAdd is not an instance of nu.xom.Element
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customize
Description copied from interface:ICMLCustomizer
Customized the nodeToAdd for the given Atom.- Specified by:
customize
in interfaceICMLCustomizer
- Parameters:
atom
- Atom to base the customization onnodeToAdd
- XOM Element to customize- Throws:
Exception
- thrown if nodeToAdd is not an instance of nu.xom.Element
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customize
Description copied from interface:ICMLCustomizer
Customized the nodeToAdd for the given Molecule.- Specified by:
customize
in interfaceICMLCustomizer
- Parameters:
molecule
- Molecule to base the customization onnodeToAdd
- XOM Element to customize- Throws:
Exception
- thrown if nodeToAdd is not an instance of nu.xom.Element
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