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Constants for atom parity and double bond stereo.
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 bond 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 |
public static final int PARITY_ODD
MolAtom.getFlags()
,
Constant Field Valuespublic static final int PARITY_EVEN
MolAtom.getFlags()
,
Constant Field Valuespublic static final int PARITY_UNSPEC
MolAtom.getFlags()
,
Constant Field Valuespublic static final int PARITY_EITHER
MolAtom.getFlags()
,
Constant Field Valuespublic static final int PARITY_MASK
PARITY_ODD
,
PARITY_EVEN
,
PARITY_UNSPEC
,
MolAtom.getFlags()
,
Constant Field Valuespublic static final int CHIRALITYSUPPORT_NONE
public static final int CHIRALITYSUPPORT_SELECTED
public static final int CHIRALITYSUPPORT_ALL
public static final int CHIRALITY_R
MolAtom.getFlags()
,
Constant Field Valuespublic static final int CHIRALITY_S
MolAtom.getFlags()
,
Constant Field Valuespublic static final int CHIRALITY_MASK
CHIRALITY_R
,
CHIRALITY_S
,
MolAtom.getFlags()
,
Constant Field Valuespublic static final int ATOMSTEREO_MASK
MolAtom.getFlags()
,
Constant Field Valuespublic static final int ATOMSTEREO_NONE
MolAtom.getFlags()
,
Constant Field Valuespublic static final int ATOMSTEREO_SPECIFIC
MolAtom.getFlags()
,
Constant Field Valuespublic static final int ATOMSTEREO_EITHER
MolAtom.getFlags()
,
Constant Field Valuespublic static final int TRANS
MolBond.getFlags()
,
Constant Field Valuespublic static final int CIS
MolBond.getFlags()
,
Constant Field Valuespublic static final int CTUNSPEC
CIS
,
TRANS
,
MolBond.getFlags()
,
Constant Field Valuespublic static final int CTUMASK
CIS
,
TRANS
,
CTUNSPEC
,
MolBond.getFlags()
,
Constant Field Valuespublic static final int CTUNKNOWN
MolBond.calcStereo2(MolAtom, MolAtom)
,
MoleculeGraph.getStereo2(int, int, int, int)
,
Constant Field Valuespublic static final int DBS_ALL
public static final int DBS_MARKED
public static final int DBS_NONE
public static final int STGRP_NONE
public static final int STGRP_ABS
public static final int STGRP_OR
public static final int STGRP_AND
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