chemaxon.descriptors

Class MDArrayReader

java.lang.Object

chemaxon.descriptors.MDReader

chemaxon.descriptors.MDArrayReader

@PublicAPI
public class MDArrayReader
extends MDReader

Reads MolecularDescriptors from an array. Intended for use when chemical descriptors are read more than once.

Typical usage:

 MDArrayReader r = new MDArrayReader( sampleDescriptorSet, cdFileReader );
 

After that all methods of MDReaders can be called, the number of MDSets is known, reading is fast, and can be reset without problems.

Since:

JChem 2.0

Author:

Zsuzsanna Szabo

Field Summary

Fields inherited from class chemaxon.descriptors.MDReader

cloneResult, firstId, generateDescriptor, generateId, id, idTagName, lastReadMolecule, mdSet, takeTags

Constructor Summary

Constructors

Constructor and Description
MDArrayReader(MDReader reader) Constructor from another MDReader.
MDArrayReader(MDSet[] elements) Constructor from standard array (to ease use of methods requiring MDReader input).

Method Summary

Modifier and Type	Method and Description
void	close() Closes the reader
MDSet	next() Gets the next element from reader.
void	reset() Resets the reader to beginning
int	size() Gets number of MDSets in the reader

Methods inherited from class chemaxon.descriptors.MDReader

createMDSetComponent, getCloneResult, getMDSet, getMolecule, setCloneResult, setFirstId, setGenerateId, setIdTagName, setTakeTag

Methods inherited from class java.lang.Object

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

Constructor Detail

MDArrayReader

public MDArrayReader(MDSet[] elements)

Constructor from standard array (to ease use of methods requiring MDReader input).

Parameters:

elements - Array of MDSets to be put into the reader.

MDArrayReader

public MDArrayReader(MDReader reader)
              throws MDReaderException

Constructor from another MDReader.

Parameters:

reader - MDReader to be copied into an array reader.

Throws:

MDReaderException - if the reader encounter an unreadable record.

Method Detail

reset

public void reset()
           throws MDReaderException

Resets the reader to beginning

Overrides:

reset in class MDReader

Throws:

MDReaderException - when failed to reset the reader

next

public MDSet next()
           throws MDReaderException

Gets the next element from reader.

Specified by:

next in class MDReader

Returns:

Next element or null if no more elements

Throws:

MDReaderException - when failed reading the next descriptor set

size

public int size()

Gets number of MDSets in the reader

Returns:

number of MDSets in the reader

close

public void close()
           throws MDReaderException

Closes the reader

Specified by:

close in class MDReader

Throws:

MDReaderException - when failed to close the input stream