org.openscience.cdk.config

Class TXTBasedAtomTypeConfigurator

java.lang.Object

org.openscience.cdk.config.TXTBasedAtomTypeConfigurator

All Implemented Interfaces:

IAtomTypeConfigurator

public class TXTBasedAtomTypeConfigurator
extends Object
implements IAtomTypeConfigurator

AtomType list configurator that uses the AtomTypes originally defined in Jmol v5. This class was added to be able to port Jmol to CDK. The AtomType's themselves seems have a computational background, but this is not clear.

Author:

Bradley A. Smith <bradley@baysmith.com>

Source code:

master

Belongs to CDK module:

core

Keywords:

atom, type

Constructor Summary

Constructors

Constructor and Description
TXTBasedAtomTypeConfigurator()

Method Summary

Modifier and Type	Method and Description
List<IAtomType>	readAtomTypes(IChemObjectBuilder builder) Reads a text based configuration file.
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

TXTBasedAtomTypeConfigurator

public TXTBasedAtomTypeConfigurator()

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 a text based configuration file.

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