com.chemaxon.overlap.cli

Class PagedDescriptorImport

java.lang.Object

com.chemaxon.overlap.cli.PagedDescriptorImport

public final class PagedDescriptorImport
extends Object

Example code to excercise paged descriptor storage.

For details on the implemented workflow see doc/overlap-pdi-workflow.uxf file.

Method Summary

Modifier and Type	Method and Description
static DescriptorComparator	comparatorFromString(String comparatorClassName) Create descriptor comparator from String.
static DescriptorGenerator	generatorFromString(boolean verbose, String s, Optional<String> xmlConfig, Optional<Integer> bitsPerPattern, Optional<Integer> bondCount, Optional<Integer> diameter) Construct a DescriptorGenerator instance from a String representation.
static String	generatorToString(DescriptorGenerator<?> gen) Deprecated.
static void	main(String[] args) Main method.

Methods inherited from class java.lang.Object

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

Method Detail

generatorFromString

public static DescriptorGenerator generatorFromString(boolean verbose,
                                                      String s,
                                                      Optional<String> xmlConfig,
                                                      Optional<Integer> bitsPerPattern,
                                                      Optional<Integer> bondCount,
                                                      Optional<Integer> diameter)

Construct a DescriptorGenerator instance from a String representation.

A String returned by generatorToString(com.chemaxon.descriptors.common.DescriptorGenerator) method can be parsed by this method. Note that new DescriptorGenerator instance is returned, so descriptors generated by the returned instance and the serialized instance will be incompatible.

TODO: move this method to Discovery helper class TODO: create parametrization

Parameters:

verbose - If true print verbose messages to stderr

s - String representation, currently name of associated DescriptorParameters class.

xmlConfig - When present pass this argument to builder's setXmlConfig(String).

bitsPerPattern - When present pass this argument to builder's bitsPerPattern(int)

bondCount - When present pass this argument to builder's bondCount(int)

diameter - When present pass this argument to builder's diameter(int)

Returns:

Generator instance

Throws:

IllegalArgumentException - when something goes wrong.

comparatorFromString

public static DescriptorComparator comparatorFromString(String comparatorClassName)

Create descriptor comparator from String.

Simply dereference class name.

Parameters:

comparatorClassName - Comparator to use

Returns:

Comparator instance

generatorToString

@Deprecated
public static String generatorToString(DescriptorGenerator<?> gen)

Deprecated.

Construct a String representation of a DescriptorGenerator instance.

The returned String can be parsed with #generatorFromString(java.lang.String) method.

Parameters:

gen - Generator to serialize

Returns:

String form

main

public static void main(String[] args)
                 throws FileNotFoundException,
                        IOException,
                        ClassNotFoundException,
                        InstantiationException,
                        IllegalAccessException,
                        ExecutionException

Main method.

Parameters:

args - Refer to help printed when passing "-h"

Throws:

FileNotFoundException

IOException

ClassNotFoundException

InstantiationException

IllegalAccessException

ExecutionException