Package chemaxon.search.hitdisplay

Class HitDisplayUtil

java.lang.Object

chemaxon.search.hitdisplay.HitDisplayUtil

@PublicApi
public class HitDisplayUtil
extends Object

Class providing some utility tools for displaying hit results with hit coloring, alignment, partial clean, etc.

Since:

Marvin 5.1

Field Summary

Fields

Modifier and Type	Field	Description
static final String	PROP_ALIGNHIT	Atom property to store "align hit" option.

Constructor Summary

Constructors

Constructor	Description
HitDisplayUtil()

Method Summary

Modifier and Type	Method	Description
static void	color(Molecule query, Molecule target, int[] hit, HitDisplayOptions options)	Performs hit coloring directly on the specified target structure.
static void	color(Molecule query, Molecule target, SearchHit hit, HitDisplayOptions options)	Performs hit coloring directly on the specified target structure.
static Molecule	colorHit(Molecule query, Molecule target, int[] hit, HitDisplayOptions options)	Returns the colored copy of the specified target structure, the original target is kept unchanged.
static Molecule	colorHit(Molecule query, Molecule target, SearchHit hit, HitDisplayOptions options)	Returns the colored copy of the specified target structure, the original target is kept unchanged.

Methods inherited from class java.lang.Object

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

Field Details

PROP_ALIGNHIT

public static final String PROP_ALIGNHIT

Atom property to store "align hit" option.

See Also:

• Constant Field Values

Constructor Details

HitDisplayUtil

public HitDisplayUtil()

Method Details

colorHit

public static Molecule colorHit(Molecule query,
 Molecule target,
 SearchHit hit,
 HitDisplayOptions options)

Returns the colored copy of the specified target structure, the original target is kept unchanged.

Parameters:

query - the substructure taken as a template for coloring

target - the structure whose colored copy is returned

hit - the search hit mapping object

options - coloring options

Returns:

the colored molecule

colorHit

public static Molecule colorHit(Molecule query,
 Molecule target,
 int[] hit,
 HitDisplayOptions options)

Returns the colored copy of the specified target structure, the original target is kept unchanged.

Parameters:

query - the substructure taken as a template for coloring

target - the structure whose colored copy is returned

hit - maps query (template) atoms to target atoms (can also be an "extended" single hit)

options - coloring options

Returns:

the colored molecule

color

public static void color(Molecule query,
 Molecule target,
 SearchHit hit,
 HitDisplayOptions options)

Performs hit coloring directly on the specified target structure.

Parameters:

query - the substructure taken as a template for coloring

target - the target structure to be colored

hit - maps query (template) atoms to target atoms (can also be an "extended" single hit)

options - coloring options

color

public static void color(Molecule query,
 Molecule target,
 int[] hit,
 HitDisplayOptions options)

Performs hit coloring directly on the specified target structure.

Parameters:

query - the substructure taken as a template for coloring

target - the target structure to be colored

hit - maps query (template) atoms to target atoms (can also be an "extended" single hit)

options - coloring options