chemaxon.struc
Interface StereoConstants

All Known Implementing Classes:

MolAtom, MolBond, MoleculeGraph

public interface StereoConstants

Constants for atom parity and double bond stereo.

Version:

3.1.4, 06/05/2003

Author:

Peter Csizmadia, Tamas Karpati, Andras Volford

Field Summary

static int	ATOMSTEREO_EITHER Either stereo atom type.
static int	ATOMSTEREO_MASK Stereo atom type mask.
static int	ATOMSTEREO_NONE No stereo atom type specified.
static int	ATOMSTEREO_SPECIFIC Specific stereo atom type.
static int	CHIRALITY_MASK Chirality mask in flags.
static int	CHIRALITY_R Chiral atom of R configuration.
static int	CHIRALITY_S Chiral atom of S configuration.
static int	CHIRALITYSUPPORT_ALL R/S shown always.
static int	CHIRALITYSUPPORT_NONE R/S not shown for any molecule.
static int	CHIRALITYSUPPORT_SELECTED R/S shown only if chiral flag is set in molecule or the atom's enhanced stereo type is absolute.
static int	CIS Cis double bond.
static int	CTUMASK Double bond stereo mask.
static int	CTUNKNOWN CIS/TRANS cannot be determined because bound angle is close to 180 degrees.
static int	CTUNSPEC Unspecified double bond.
static int	DBS_ALL Double bond stereo checking for all double bonds.
static int	DBS_MARKED Double bond stereo checking for marked double bonds only.
static int	DBS_NONE No double bond stereo checking.
static int	PARITY_EITHER Odd or even parity.
static int	PARITY_EVEN Chiral atom of even parity.
static int	PARITY_MASK Parity mask in flags.
static int	PARITY_ODD Chiral atom of odd parity.
static int	PARITY_UNSPEC Chiral atom of unspecified parity.
static int	STGRP_ABS Absolute stereo group type.
static int	STGRP_AND AND stereo group type.
static int	STGRP_NONE Empty stereo group type setting.
static int	STGRP_OR OR stereo group type.
static int	TRANS Trans double bond.

Field Detail

PARITY_ODD

public static final int PARITY_ODD

Chiral atom of odd parity.

See Also:

MolAtom.getFlags(), Constant Field Values

PARITY_EVEN

public static final int PARITY_EVEN

Chiral atom of even parity.

See Also:

MolAtom.getFlags(), Constant Field Values

PARITY_UNSPEC

public static final int PARITY_UNSPEC

Chiral atom of unspecified parity.

See Also:

MolAtom.getFlags(), Constant Field Values

PARITY_EITHER

public static final int PARITY_EITHER

Odd or even parity.

See Also:

MolAtom.getFlags(), Constant Field Values

PARITY_MASK

public static final int PARITY_MASK

Parity mask in flags.

See Also:

PARITY_ODD, PARITY_EVEN, PARITY_UNSPEC, MolAtom.getFlags(), Constant Field Values

CHIRALITYSUPPORT_NONE

public static final int CHIRALITYSUPPORT_NONE

R/S not shown for any molecule.

See Also:

Constant Field Values

CHIRALITYSUPPORT_SELECTED

public static final int CHIRALITYSUPPORT_SELECTED

R/S shown only if chiral flag is set in molecule or the atom's enhanced stereo type is absolute.

See Also:

Constant Field Values

CHIRALITYSUPPORT_ALL

public static final int CHIRALITYSUPPORT_ALL

R/S shown always.

See Also:

Constant Field Values

CHIRALITY_R

public static final int CHIRALITY_R

Chiral atom of R configuration.

See Also:

MolAtom.getFlags(), Constant Field Values

CHIRALITY_S

public static final int CHIRALITY_S

Chiral atom of S configuration.

See Also:

MolAtom.getFlags(), Constant Field Values

CHIRALITY_MASK

public static final int CHIRALITY_MASK

Chirality mask in flags.

See Also:

CHIRALITY_R, CHIRALITY_S, MolAtom.getFlags(), Constant Field Values

ATOMSTEREO_MASK

public static final int ATOMSTEREO_MASK

Stereo atom type mask.

See Also:

MolAtom.getFlags(), Constant Field Values

ATOMSTEREO_NONE

public static final int ATOMSTEREO_NONE

No stereo atom type specified. The atom has no wedge bonds.

See Also:

MolAtom.getFlags(), Constant Field Values

ATOMSTEREO_SPECIFIC

public static final int ATOMSTEREO_SPECIFIC

Specific stereo atom type. The atom has wedge bond but not wiggly.

See Also:

MolAtom.getFlags(), Constant Field Values

ATOMSTEREO_EITHER

public static final int ATOMSTEREO_EITHER

Either stereo atom type. The atom has wiggly wedge bond.

See Also:

MolAtom.getFlags(), Constant Field Values

TRANS

public static final int TRANS

Trans double bond.

See Also:

MolBond.getFlags(), Constant Field Values

CIS

public static final int CIS

Cis double bond.

See Also:

MolBond.getFlags(), Constant Field Values

CTUNSPEC

public static final int CTUNSPEC

Unspecified double bond. Query flag. Only used in conjunction with CIS or TRANS.

See Also:

CIS, TRANS, MolBond.getFlags(), Constant Field Values

CTUMASK

public static final int CTUMASK

Double bond stereo mask. It equals CIS | TRANS | CTUNSPEC.

See Also:

CIS, TRANS, CTUNSPEC, MolBond.getFlags(), Constant Field Values

CTUNKNOWN

public static final int CTUNKNOWN

CIS/TRANS cannot be determined because bound angle is close to 180 degrees. This is not a flag in MolBond.

See Also:

MolBond.calcStereo2(MolAtom, MolAtom), MoleculeGraph.getStereo2(int, int, int, int), Constant Field Values

DBS_ALL

public static final int DBS_ALL

Double bond stereo checking for all double bonds.

See Also:

Constant Field Values

DBS_MARKED

public static final int DBS_MARKED

Double bond stereo checking for marked double bonds only.

See Also:

Constant Field Values

DBS_NONE

public static final int DBS_NONE

No double bond stereo checking.

See Also:

Constant Field Values

STGRP_NONE

public static final int STGRP_NONE

Empty stereo group type setting.

Since:

3.1.4

See Also:

Constant Field Values

STGRP_ABS

public static final int STGRP_ABS

Absolute stereo group type.

Since:

3.1.4

See Also:

Constant Field Values

STGRP_OR

public static final int STGRP_OR

OR stereo group type.

Since:

3.1.4

See Also:

Constant Field Values

STGRP_AND

public static final int STGRP_AND

AND stereo group type.

Since:

3.1.4

See Also:

Constant Field Values