org.openscience.cdk.config

Class CDKBasedAtomTypeConfigurator

java.lang.Object

org.openscience.cdk.config.CDKBasedAtomTypeConfigurator

All Implemented Interfaces:

IAtomTypeConfigurator

public class CDKBasedAtomTypeConfigurator
extends Object
implements IAtomTypeConfigurator

AtomType resource that reads the atom type configuration from an XML file. The format is required to be in the STMML format [Murray-Rust, P. and Rzepa, H.S., STMML. A MARKUP LANGUAGE FOR SCIENTIFIC, TECHNICAL AND MEDICAL PUBLISHING]; examples can be found in CVS in the src/org/openscience/cdk/config/data directory.

Source code:

master

Belongs to CDK module:

core

Constructor Summary

Constructors

Constructor and Description
CDKBasedAtomTypeConfigurator()

Method Summary

Methods

Modifier and Type	Method and Description
List<IAtomType>	readAtomTypes(IChemObjectBuilder builder) Reads the atom types from the CDK based atom type list.
void	setInputStream(InputStream ins) Sets the file containing the configuration data.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

CDKBasedAtomTypeConfigurator

public CDKBasedAtomTypeConfigurator()

Method Detail

setInputStream

public void setInputStream(InputStream ins)

Sets the file containing the configuration data.

Specified by:

setInputStream in interface IAtomTypeConfigurator

Parameters:

ins - InputStream from which the atom type definitions are to be read

readAtomTypes

public List<IAtomType> readAtomTypes(IChemObjectBuilder builder)
                              throws IOException

Reads the atom types from the CDK based atom type list.

Specified by:

readAtomTypes in interface IAtomTypeConfigurator

Parameters:

builder - IChemObjectBuilder used to construct the IAtomType's.

Returns:

A List with read IAtomType's.

Throws:

IOException - when a problem occurred with reading from the InputStream