ambit2.core.processors

Class IsotopesProcessor

java.lang.Object

ambit2.core.processors.AbstractStructureProcessor

ambit2.core.processors.IsotopesProcessor

All Implemented Interfaces:

Serializable, net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.interfaces.IAtomContainer>

public class IsotopesProcessor
extends AbstractStructureProcessor

Sets the mass number to the most abundant isotope

Author:

nina

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected org.openscience.cdk.config.Isotopes	isotopesFactory

Fields inherited from class ambit2.core.processors.AbstractStructureProcessor

at_property, at_property_added, at_property_removed, atomtypeasproperties, enabled, logger, sparseproperties

Constructor Summary

Constructors

Constructor and Description
IsotopesProcessor(Logger logger)

Method Summary

Modifier and Type	Method and Description
protected boolean	applicable(org.openscience.cdk.interfaces.IAtom atom) Used as criteria whether to assign atom types as properties e.g.
org.openscience.cdk.interfaces.IAtomContainer	process(org.openscience.cdk.interfaces.IAtomContainer container)

Methods inherited from class ambit2.core.processors.AbstractStructureProcessor

atomtypes2properties_init, atomtypes2properties, atomtypes2property, atomtypes2property, close, getID, isAtomtypeasproperties, isEnabled, isSparseproperties, open, setAtomtypeasproperties, setEnabled, setSparseproperties

Methods inherited from class java.lang.Object

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

Field Detail

isotopesFactory

protected org.openscience.cdk.config.Isotopes isotopesFactory

Constructor Detail

IsotopesProcessor

public IsotopesProcessor(Logger logger)

Method Detail

applicable

protected boolean applicable(org.openscience.cdk.interfaces.IAtom atom)

Description copied from class: AbstractStructureProcessor

Used as criteria whether to assign atom types as properties e.g. assign only if charged atoms. Subclass to define your own.

Overrides:

applicable in class AbstractStructureProcessor

Returns:

process

public org.openscience.cdk.interfaces.IAtomContainer process(org.openscience.cdk.interfaces.IAtomContainer container)
                                                      throws Exception

Throws:

Exception