chemaxon.sss.screen
Class HashCode

java.lang.Object
  chemaxon.sss.screen.HashCode

public final class HashCode
extends java.lang.Object

Hash code generator for molecules. Explicit hydrogens are not considered.
NOTE: this class is not thread safe for the sake of efficiency, multiple threads should use multiple instances.

Since:

JChem 3.0

Author:

Szilard Dorant

Field Summary

static int

DEFAULT_RECURSION_LEVEL

Constructor Summary

HashCode()
Creates a new instance of HashCode

Method Summary

int	getHashCode(Molecule mol) Gets hash code with default recursion level.
int	getHashCode(Molecule mol, int recursion) Gets the hash code.
int	getHashCode(Molecule mol, int[] fp) Gets hash code with default recursion level.
int	getHashCode(Molecule mol, int[] fp, int recursion) Gets the hash code.

Methods inherited from class java.lang.Object

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

Field Detail

DEFAULT_RECURSION_LEVEL

public static final int DEFAULT_RECURSION_LEVEL

See Also:

Constant Field Values

Constructor Detail

HashCode

public HashCode()

Creates a new instance of HashCode

Method Detail

getHashCode

public int getHashCode(Molecule mol)

Gets hash code with default recursion level.

Parameters:

mol - the molecule

Returns:

the hash code

See Also:

DEFAULT_RECURSION_LEVEL, getHashCode(chemaxon.struc.Molecule, int)

getHashCode

public int getHashCode(Molecule mol,
                       int recursion)

Gets the hash code.

Parameters:

mol - the molecule

recursion - the maximum level of recursion. Increase for better diversity, decrease for speed. Specify 1 or more.

Returns:

the hash code

See Also:

DEFAULT_RECURSION_LEVEL

getHashCode

public int getHashCode(Molecule mol,
                       int[] fp)

Gets hash code with default recursion level.

Parameters:

mol - the molecule

fp - the fingerprints in integers

Returns:

the hash code

See Also:

DEFAULT_RECURSION_LEVEL, getHashCode(chemaxon.struc.Molecule, int[], int)

getHashCode

public int getHashCode(Molecule mol,
                       int[] fp,
                       int recursion)

Gets the hash code.

Parameters:

mol - the molecule

fp - the fingerprints in integers

recursion - the maximum level of recursion. Increase for better diversity, decrease fro speed. Specify 1 or more.

Returns:

the hash code

See Also:

DEFAULT_RECURSION_LEVEL