com.chemaxon.descriptors.alternates.cli

Class SingleThreadDescriptorGenerator

java.lang.Object

com.chemaxon.descriptors.alternates.cli.SingleThreadDescriptorGenerator

public final class SingleThreadDescriptorGenerator
extends Object

Single threaded descriptor generator to cross-check multi threaded descriptor generator.

This tool exercises MolImporter] and {@link chemaxon.descriptors.MolecularDescriptor} descriptors producing String serialized representation of the descriptors generated for the input file. This file can be cross checked with the multi threaded implementations output.

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	SingleThreadDescriptorGenerator.IDLOC Location of ID relative to the descriptor String.
static class	SingleThreadDescriptorGenerator.IDSEPCHAR
static class	SingleThreadDescriptorGenerator.IDSRC Source of IDs.

Method Summary

Modifier and Type	Method and Description
static void	main(String[] args) Main method.
static String	retrieveId(SingleThreadedDescriptorGeneratorParameters params, int readct, Molecule m) Construct ID.

Methods inherited from class java.lang.Object

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

Method Detail

retrieveId

public static String retrieveId(SingleThreadedDescriptorGeneratorParameters params,
                                int readct,
                                Molecule m)

Construct ID.

Parameters:

params - CLI parameters

readct - 1-based read index

m - Molecule

Returns:

ID

main

public static void main(String[] args)
                 throws IOException,
                        InstantiationException,
                        ClassNotFoundException,
                        IllegalAccessException,
                        IllegalArgumentException,
                        InvocationTargetException,
                        NoSuchMethodException,
                        Exception

Main method.

Parameters:

args - Command line arguments. For details see SingleThreadedDescriptorGeneratorParameters or invoke with option "-h"

Throws:

The - kitchen sink ...

IOException

InstantiationException

ClassNotFoundException

IllegalAccessException

IllegalArgumentException

InvocationTargetException

NoSuchMethodException

Exception