Package org.openscience.cdk.config
Class TXTBasedAtomTypeConfigurator
- java.lang.Object
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- org.openscience.cdk.config.TXTBasedAtomTypeConfigurator
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- 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:
- main
- Belongs to CDK module:
- core
- Keywords:
- atom, type
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Constructor Summary
Constructors Constructor Description TXTBasedAtomTypeConfigurator()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description List<IAtomType>
readAtomTypes(IChemObjectBuilder builder)
Reads a text based configuration file.void
setInputStream(InputStream ins)
Sets the file containing the configuration data.
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Method Detail
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setInputStream
public void setInputStream(InputStream ins)
Sets the file containing the configuration data.- Specified by:
setInputStream
in interfaceIAtomTypeConfigurator
- Parameters:
ins
- InputStream from which the atom type definitions are to be read
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readAtomTypes
public List<IAtomType> readAtomTypes(IChemObjectBuilder builder) throws IOException
Reads a text based configuration file.- Specified by:
readAtomTypes
in interfaceIAtomTypeConfigurator
- 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
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