StereoConstants (Marvin API documentation (c) 1998-2015 ChemAxon Ltd.)

All Known Implementing Classes:

Hydrogenize, MolAtom, MolBond, Molecule, MoleculeGraph, MolExport, MolImport, QueryBond, RgMolecule, RxnMolecule, SelectionMolecule, SgroupAtom
```
public interface StereoConstants
```
Constants for atom parity and double bond stereo.

Version:

5.3, 12/27/2009

Author:

Peter Csizmadia, Tamas Karpati, Andras Volford

Field Summary

Fields
Modifier and Type	Field and Description
`static int`	`ANTI` Non-CIP stereodescriptor, anti (relative configuration).
`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_M` Axially chiral atom with M configuration.
`static int`	`CHIRALITY_MASK` Chirality mask in flags.
`static int`	`CHIRALITY_P` Axially chiral atom with P configuration.
`static int`	`CHIRALITY_r` Pseudo-asymmetric chiral atom of r configuration.
`static int`	`CHIRALITY_R` Chiral atom of R configuration.
`static int`	`CHIRALITY_s` Pseudo-asymmetric chiral atom of s configuration.
`static int`	`CHIRALITY_S` Chiral atom of S configuration.
`static int`	`CHIRALITYSUPPORT_ALL` R/S shown always.
`static int`	`CHIRALITYSUPPORT_ALL_POSSIBLE` R/S shown always and highlight possible chiral centers as well.
`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` Deprecated. As of Marvin 6.1, Usage: In the specified methods the CIS\|TRANS or CIS\|TRANS\|CTUNSPEC values are used instead.
`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`	`ENDO` Non-CIP stereodescriptor, endo (relative configuration).
`static int`	`EXO` Non-CIP stereodescriptor, exo (relative configuration).
`static int`	`PARITY_ALLENE` Atom with allene like parity.
`static int`	`PARITY_EITHER` Odd or even parity.
`static int`	`PARITY_EVEN` Chiral atom of even parity (counterclockwise arrangement).
`static int`	`PARITY_MASK` Parity mask in flags.
`static int`	`PARITY_ODD` Chiral atom of odd parity (clockwise arrangement).
`static int`	`PARITY_TETRAHEDRAL` Atom with tetrahedral parity.
`static int`	`PARITY_UNSPEC` Unspecified parity flag.
`static int`	`STGRP_ABS` Absolute stereo group type for enhanced stereo representation.
`static int`	`STGRP_AND` AND stereo group type for enhanced stereo representation.
`static int`	`STGRP_NONE` Empty stereo group type setting meaning no enhanced stereo label.
`static int`	`STGRP_OR` OR stereo group type for enhanced stereo representation.
`static int`	`SYN` Non-CIP stereodescriptor, syn (relative configuration).
`static int`	`TRANS` Trans double bond.

- Field Detail
  - PARITY_TETRAHEDRAL
```
static final int PARITY_TETRAHEDRAL
```
    Atom with tetrahedral parity.
    
    Since:
    
    5.3
    
    See Also:
    MoleculeGraph.getParityType(int), Constant Field Values
  - PARITY_ALLENE
```
static final int PARITY_ALLENE
```
    Atom with allene like parity.
    
    Since:
    
    5.3
    
    See Also:
    MoleculeGraph.getParityType(int), Constant Field Values
  - PARITY_ODD
```
static final int PARITY_ODD
```
    Chiral atom of odd parity (clockwise arrangement).
    
    See Also:
    MolAtom.getFlags(), Constant Field Values
  - PARITY_EVEN
```
static final int PARITY_EVEN
```
    Chiral atom of even parity (counterclockwise arrangement).
    
    See Also:
    MolAtom.getFlags(), Constant Field Values
  - PARITY_UNSPEC
```
static final int PARITY_UNSPEC
```
    Unspecified parity flag. Has meaning only in conjunction with specified parity information of an atom in case of query structures.
    Used in the following sense: The parity of the atom is the specified one or unspecified.
    For example, in the following SMARTS query the third atom has flag PARITY_UNSPEC | PARITY_ODD: [#6]C[C@@?H]([#6])Cl
    
    See Also:
    MolAtom.getFlags(), Constant Field Values
  - PARITY_EITHER
```
static final int PARITY_EITHER
```
    Odd or even parity.
    
    See Also:
    MolAtom.getFlags(), Constant Field Values
  - PARITY_MASK
```
static final int PARITY_MASK
```
    Parity mask in flags.
    
    See Also:
    PARITY_ODD, PARITY_EVEN, PARITY_UNSPEC, MolAtom.getFlags(), Constant Field Values
  - CHIRALITYSUPPORT_NONE
```
static final int CHIRALITYSUPPORT_NONE
```
    R/S not shown for any molecule.
    
    See Also:
    Constant Field Values
  - CHIRALITYSUPPORT_SELECTED
```
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
```
static final int CHIRALITYSUPPORT_ALL
```
    R/S shown always.
    
    See Also:
    Constant Field Values
  - CHIRALITYSUPPORT_ALL_POSSIBLE
```
static final int CHIRALITYSUPPORT_ALL_POSSIBLE
```
    R/S shown always and highlight possible chiral centers as well.
    
    See Also:
    Constant Field Values
  - CHIRALITY_R
```
static final int CHIRALITY_R
```
    Chiral atom of R configuration.
    
    See Also:
    MolAtom.getFlags(), Constant Field Values
  - CHIRALITY_S
```
static final int CHIRALITY_S
```
    Chiral atom of S configuration.
    
    See Also:
    MolAtom.getFlags(), Constant Field Values
  - CHIRALITY_r
```
static final int CHIRALITY_r
```
    Pseudo-asymmetric chiral atom of r configuration. An atom that is a tetrahedrally substituted atom and bonded to four different entities, two and only two of which have opposite configurations, is stereogenic. The descriptors 'r' and 's' are used to denote such centers. The stereodescriptors 'r' and 's' are reflexion invariant.
    
    See Also:
    Constant Field Values
  - CHIRALITY_s
```
static final int CHIRALITY_s
```
    Pseudo-asymmetric chiral atom of s configuration.
    
    See Also:
    Constant Field Values
  - CHIRALITY_P
```
static final int CHIRALITY_P
```
    Axially chiral atom with P configuration.
    
    See Also:
    Constant Field Values
  - CHIRALITY_M
```
static final int CHIRALITY_M
```
    Axially chiral atom with M configuration.
    
    See Also:
    Constant Field Values
  - SYN
```
static final int SYN
```
    Non-CIP stereodescriptor, syn (relative configuration).
    
    See Also:
    Constant Field Values
  - ANTI
```
static final int ANTI
```
    Non-CIP stereodescriptor, anti (relative configuration).
    
    See Also:
    Constant Field Values
  - ENDO
```
static final int ENDO
```
    Non-CIP stereodescriptor, endo (relative configuration).
    
    See Also:
    Constant Field Values
  - EXO
```
static final int EXO
```
    Non-CIP stereodescriptor, exo (relative configuration).
    
    See Also:
    Constant Field Values
  - CHIRALITY_MASK
```
static final int CHIRALITY_MASK
```
    Chirality mask in flags.
    
    See Also:
    CHIRALITY_R, CHIRALITY_S, MolAtom.getFlags(), Constant Field Values
  - ATOMSTEREO_MASK
```
static final int ATOMSTEREO_MASK
```
    Stereo atom type mask.
    
    See Also:
    MolAtom.getFlags(), Constant Field Values
  - ATOMSTEREO_NONE
```
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
```
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
```
static final int ATOMSTEREO_EITHER
```
    Either stereo atom type. The atom has wiggly wedge bond.
    
    See Also:
    MolAtom.getFlags(), Constant Field Values
  - TRANS
```
static final int TRANS
```
    Trans double bond.
    
    See Also:
    MolBond.getFlags(), Constant Field Values
  - CIS
```
static final int CIS
```
    Cis double bond.
    
    See Also:
    MolBond.getFlags(), Constant Field Values
  - CTUNSPEC
```
static final int CTUNSPEC
```
    Unspecified double bond. Query flag. Only used in conjunction with CIS or TRANS. For example, in the following SMARTS query the second bond has flag CTUNSPEC | TRANS: F/?[#6]=C/Cl. This matches to molecules F/C=C/Cl and FC=CCl.
    
    See Also:
    CIS, TRANS, MolBond.getFlags(), Constant Field Values
  - CTUMASK
```
static final int CTUMASK
```
    Double bond stereo mask. It equals CIS | TRANS | CTUNSPEC.
    
    See Also:
    CIS, TRANS, CTUNSPEC, MolBond.getFlags(), Constant Field Values
  - CTUNKNOWN
```
@Deprecated
static final int CTUNKNOWN
```
    Deprecated. As of Marvin 6.1,
    Usage:
    In the specified methods the CIS|TRANS or CIS|TRANS|CTUNSPEC values are used instead.
    CIS/TRANS cannot be determined because bond angle is close to 180 degrees. This is not a flag in MolBond. This corresponds to CIS|TRANS (double bond) or CIS|TRANS|CTUNSPEC (C/T? double bond)
    
    See Also:
    MolBond.calcStereo2(MolAtom, MolAtom), MoleculeGraph.getStereo2(int, int, int, int), Constant Field Values
  - DBS_ALL
```
static final int DBS_ALL
```
    Double bond stereo checking for all double bonds.
    
    See Also:
    Constant Field Values
  - DBS_MARKED
```
static final int DBS_MARKED
```
    Double bond stereo checking for marked double bonds only.
    
    See Also:
    Constant Field Values
  - DBS_NONE
```
static final int DBS_NONE
```
    No double bond stereo checking.
    
    See Also:
    Constant Field Values
  - STGRP_NONE
```
static final int STGRP_NONE
```
    Empty stereo group type setting meaning no enhanced stereo label.
    
    Since:
    
    Marvin 3.1.4
    
    See Also:
    MolAtom.getStereoGroupType(), Enhanced Stereo section of the JChem Query Guide, Constant Field Values
  - STGRP_ABS
```
static final int STGRP_ABS
```
    Absolute stereo group type for enhanced stereo representation. This group represents a chiral centre as drawn.
    
    Since:
    
    Marvin 3.1.4
    
    See Also:
    MolAtom.getStereoGroupType(), Enhanced Stereo section of the JChem Query Guide, Constant Field Values
  - STGRP_OR
```
static final int STGRP_OR
```
    OR stereo group type for enhanced stereo representation. Must be used together with a number, eg. OR1, OR2, etc. This group type represents a pure sample of stereoisomers with the labelled chiral centre as drawn or in the opposite stereo configuration, however the relative stereo configuration of the same group must not change. (Ie. they are all as drawn or they are all flipped.)
    
    Since:
    
    Marvin 3.1.4
    
    See Also:
    MolAtom.getStereoGroupType(), Enhanced Stereo section of the JChem Query Guide, Constant Field Values
  - STGRP_AND
```
static final int STGRP_AND
```
    AND stereo group type for enhanced stereo representation. Must be used together with a number, eg. AND1, AND2, etc. This group type represents a mixture of stereoisomers with the labelled chiral centre as drawn and in the opposite stereo configuration, however the relative stereo configuration of the same group must not change. (Ie. they are all as drawn or they are all flipped.)
    
    Since:
    
    Marvin 3.1.4
    
    See Also:
    MolAtom.getStereoGroupType(), Enhanced Stereo section of the JChem Query Guide, Constant Field Values

Interface StereoConstants

Field Summary

Field Detail

PARITY_TETRAHEDRAL

PARITY_ALLENE

PARITY_ODD

PARITY_EVEN

PARITY_UNSPEC

PARITY_EITHER

PARITY_MASK

CHIRALITYSUPPORT_NONE

CHIRALITYSUPPORT_SELECTED

CHIRALITYSUPPORT_ALL

CHIRALITYSUPPORT_ALL_POSSIBLE

CHIRALITY_R

CHIRALITY_S

CHIRALITY_r

CHIRALITY_s

CHIRALITY_P

CHIRALITY_M

SYN

ANTI

ENDO

EXO

CHIRALITY_MASK

ATOMSTEREO_MASK

ATOMSTEREO_NONE

ATOMSTEREO_SPECIFIC

ATOMSTEREO_EITHER

TRANS

CIS

CTUNSPEC

CTUMASK

CTUNKNOWN

DBS_ALL

DBS_MARKED

DBS_NONE

STGRP_NONE

STGRP_ABS

STGRP_OR

STGRP_AND