Package org.openscience.cdk.config
Class TXTBasedAtomTypeConfigurator
java.lang.Object
org.openscience.cdk.config.TXTBasedAtomTypeConfigurator
- All Implemented Interfaces:
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 -
Method Summary
Modifier and TypeMethodDescriptionreadAtomTypes
(IChemObjectBuilder builder) Reads a text based configuration file.void
Sets the file containing the configuration data.
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Constructor Details
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TXTBasedAtomTypeConfigurator
public TXTBasedAtomTypeConfigurator()
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Method Details
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setInputStream
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
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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