chemaxon.sss.screen

Class HashCode

java.lang.Object

chemaxon.sss.screen.HashCode

@PublicAPI
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

Fields

Modifier and Type	Field and Description
static int	DEFAULT_RECURSION_LEVEL

Constructor Summary

Constructors

Constructor and Description
HashCode() Creates a new instance of HashCode

Method Summary

Modifier and Type	Method and Description
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 for speed. Specify 1 or more.

Returns:

the hash code

See Also:

DEFAULT_RECURSION_LEVEL