public class Chirality2DTool extends java.lang.Object implements ChiralityTool
Constructor and Description |
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Chirality2DTool() |
Modifier and Type | Method and Description |
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static IStereoAndConformation |
getChirality2D(org.openscience.cdk.interfaces.IStereoElement stereoElement,
org.openscience.cdk.interfaces.IAtomContainer atomContainer) |
static IStereoAndConformation |
getChirality2D(WedgeStereoLifter lifter,
org.openscience.cdk.interfaces.IAtom atom,
org.openscience.cdk.interfaces.IAtomContainer atomContainer) |
java.util.Map<org.openscience.cdk.interfaces.IAtom,IStereoAndConformation> |
getTetrahedralChiralities(org.openscience.cdk.interfaces.IAtomContainer atomContainer) |
java.util.Map<org.openscience.cdk.interfaces.IAtom,IStereoAndConformation> |
getTetrahedralChiralities(org.openscience.cdk.interfaces.IAtomContainer atomContainer,
boolean getNoneAssesments) |
public static IStereoAndConformation getChirality2D(WedgeStereoLifter lifter, org.openscience.cdk.interfaces.IAtom atom, org.openscience.cdk.interfaces.IAtomContainer atomContainer)
lifter
- atom
- atomContainer
- public static IStereoAndConformation getChirality2D(org.openscience.cdk.interfaces.IStereoElement stereoElement, org.openscience.cdk.interfaces.IAtomContainer atomContainer)
stereoElement
- atomContainer
- public java.util.Map<org.openscience.cdk.interfaces.IAtom,IStereoAndConformation> getTetrahedralChiralities(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
getTetrahedralChiralities
in interface ChiralityTool
atomContainer
- public java.util.Map<org.openscience.cdk.interfaces.IAtom,IStereoAndConformation> getTetrahedralChiralities(org.openscience.cdk.interfaces.IAtomContainer atomContainer, boolean getNoneAssesments)
getTetrahedralChiralities
in interface ChiralityTool
atomContainer
- getNoneAssesments
-