chemaxon.struc.sgroup
Interface Expandable

All Known Implementing Classes:

MultipleSgroup, SuperatomSgroup

public interface Expandable

Expandable interface for S-groups.

Since:

Marvin 3.0, 11/05/2002

Version:

4.1, 01/12/2006

Author:

Peter Csizmadia

Field Summary

static int	COORDS_UPDATE Performs coordinate update during the unbinding of atoms.
static int	DEFAULT_OPTIONS Default expansion/contraction options.
static int	FAST_COORDS Fast coordinate calculation in expand.
static int	MDL_EXPAND MDL like multiple group expansion flag.
static int	NONRECURSIVE_EXPAND Non recursive expansion of child groups.
static int	REVERSIBLE_EXPAND Reversible expansion or contraction.

Method Summary

boolean	contract(int opts) Contracts the S-group.
boolean	expand(int opts) Expands the S-group.
boolean	isExpanded() Is this S-group expanded?

Field Detail

DEFAULT_OPTIONS

static final int DEFAULT_OPTIONS

Default expansion/contraction options.

Since:

Marvin 3.3

See Also:

Constant Field Values

MDL_EXPAND

static final int MDL_EXPAND

MDL like multiple group expansion flag. Coordinates of corresponding atoms in different expanded units are equal. Use this flag for MDL molfile export.

See Also:

Constant Field Values

REVERSIBLE_EXPAND

static final int REVERSIBLE_EXPAND

Reversible expansion or contraction.

Since:

Marvin 3.4, 03/18/2004

See Also:

Constant Field Values

NONRECURSIVE_EXPAND

static final int NONRECURSIVE_EXPAND

Non recursive expansion of child groups.

Since:

Marvin 3.4, 04/22/2004

See Also:

Constant Field Values

FAST_COORDS

static final int FAST_COORDS

Fast coordinate calculation in expand.

Since:

Marvin 4.1, 01/12/2006

See Also:

Constant Field Values

COORDS_UPDATE

static final int COORDS_UPDATE

Performs coordinate update during the unbinding of atoms. The atom which replaces the unbound atom will take the coordinates of the unbound atom in order preserve the stereo attributes of crossing bonds.

Since:

Marvin 5.3, 01/27/2010

See Also:

Constant Field Values

Method Detail

contract

boolean contract(int opts)

Contracts the S-group.

Parameters:

opts - contraction options (currently neglected)

Returns:

true if the operation was successful, false if the group cannot be contracted

See Also:

DEFAULT_OPTIONS, REVERSIBLE_EXPAND

expand

boolean expand(int opts)

Expands the S-group.

Parameters:

opts - expansion options

Returns:

true if the operation was successful, false if the group cannot be expanded

See Also:

DEFAULT_OPTIONS, MDL_EXPAND, REVERSIBLE_EXPAND, COORDS_UPDATE

isExpanded

boolean isExpanded()

Is this S-group expanded?

Returns:

true if expanded, false if not