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org::openscience::cdk::config::AtomTypeFactory Class Reference

List of all members.


Detailed Description

General class for defining AtomTypes. This class itself does not define the items types; for this classes implementing the AtomTypeConfiguration interface are used.

To see which AtomTypeConfigurator's CDK provides, one should check the AtomTypeConfigurator API.

The AtomTypeFactory is a singleton class, which means that there exists only one instance of the class. Well, almost. For each atom type table, there is one AtomTypeFactory instance. An instance of this class is obtained with:

  AtomTypeFactory factory = AtomTypeFactory.getInstance(someChemObjectBuilder);
  
For each atom type list a separate AtomTypeFactory is instantiated.

To get all the atom types of an element from a specific list, this code can be used:

  AtomTypeFactory factory = AtomTypeFactory.getInstance(
    "org/openscience/cdk/config/data/jmol_atomtypes.txt",
      someChemObjectBuilder
  );
  AtomType[] types = factory.getAtomTypes("C");
  

.module core

Author:
steinbeck .created 2001-08-29 .keyword atom, type
See also:
IAtomTypeConfigurator

Definition at line 75 of file AtomTypeFactory.java.


Public Member Functions

IAtom configure (IAtom atom) throws CDKException
IAtomType[] getAllAtomTypes ()
IAtomType getAtomType (String identifier) throws NoSuchAtomTypeException
IAtomType[] getAtomTypes (String symbol)
int getSize ()

Static Public Member Functions

static AtomTypeFactory getInstance (String configFile, IChemObjectBuilder builder)
static AtomTypeFactory getInstance (IChemObjectBuilder builder)
static AtomTypeFactory getInstance (InputStream ins, String format, IChemObjectBuilder builder)

Static Public Attributes

static final String ATOMTYPE_ID_JMOL = "jmol"
static final String ATOMTYPE_ID_MODELING = "modeling"
static final String ATOMTYPE_ID_STRUCTGEN = "structgen"

Private Member Functions

 AtomTypeFactory (InputStream ins, String format, IChemObjectBuilder builder)
 AtomTypeFactory (String configFile, IChemObjectBuilder builder)
IAtomTypeConfigurator constructConfigurator (String format)
void readConfiguration (InputStream ins, String format, IChemObjectBuilder builder)
void readConfiguration (String fileName, IChemObjectBuilder builder)

Private Attributes

List atomTypes = null

Static Private Attributes

static LoggingTool logger
static Hashtable tables = null
static final String TXT_EXTENSION = "txt"
static final String XML_EXTENSION = "xml"

The documentation for this class was generated from the following file:

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