Package | Description |
---|---|
ambit2.smarts |
SMARTS parser |
ambit2.smarts.smirks |
Modifier and Type | Method and Description |
---|---|
static org.openscience.cdk.stereo.DoubleBondStereochemistry |
StereoChemUtils.bondChange(org.openscience.cdk.interfaces.IAtom at1,
org.openscience.cdk.interfaces.IAtom at2,
org.openscience.cdk.interfaces.IBond.Order initialBondOrder,
org.openscience.cdk.interfaces.IBond.Order updatedBondOrder,
org.openscience.cdk.interfaces.IAtomContainer target,
org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc,
StereoChange stChange) |
static org.openscience.cdk.stereo.DoubleBondStereochemistry |
StereoChemUtils.deleteAtom(org.openscience.cdk.interfaces.IAtom at,
org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc,
StereoChange stChange) |
static org.openscience.cdk.stereo.DoubleBondStereochemistry |
StereoChemUtils.restoreDBStereo(org.openscience.cdk.interfaces.IAtomContainer target,
org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc,
StereoChange stChange) |
Modifier and Type | Method and Description |
---|---|
void |
SMIRKSManager.checkInvalidatedDBStereo(org.openscience.cdk.interfaces.IAtomContainer target,
List<org.openscience.cdk.interfaces.IStereoElement> invalidatedStereoElements,
Map<org.openscience.cdk.interfaces.IStereoElement,StereoChange> stereoChanges) |
Modifier and Type | Method and Description |
---|---|
static org.openscience.cdk.stereo.DoubleBondStereochemistry |
StereoTransformation.bondChange(org.openscience.cdk.interfaces.IAtom at1,
org.openscience.cdk.interfaces.IAtom at2,
org.openscience.cdk.interfaces.IBond.Order initialBondOrder,
org.openscience.cdk.interfaces.IBond.Order updatedBondOrder,
org.openscience.cdk.interfaces.IAtomContainer target,
org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc,
StereoChange stChange) |
static org.openscience.cdk.stereo.TetrahedralChirality |
StereoTransformation.bondChange(org.openscience.cdk.interfaces.IAtom at1,
org.openscience.cdk.interfaces.IAtom at2,
org.openscience.cdk.interfaces.IBond.Order initialBondOrder,
org.openscience.cdk.interfaces.IBond.Order updatedBondOrder,
org.openscience.cdk.interfaces.IAtomContainer target,
org.openscience.cdk.stereo.TetrahedralChirality thc,
StereoChange stereoChange) |
static org.openscience.cdk.stereo.DoubleBondStereochemistry |
StereoTransformation.deleteAtom(org.openscience.cdk.interfaces.IAtom at,
org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc,
StereoChange stChange) |
static org.openscience.cdk.stereo.TetrahedralChirality |
StereoTransformation.deleteAtom(org.openscience.cdk.interfaces.IAtom at,
org.openscience.cdk.stereo.TetrahedralChirality thc,
StereoChange stereoChange) |
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