@PublicAPI @Deprecated public class StereoCheckUtility extends java.lang.Object
Constructor and Description |
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StereoCheckUtility()
Deprecated.
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Modifier and Type | Method and Description |
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static java.util.List<MolAtom> |
getNotAbsoluteRSChiralCenters(java.util.List<MolAtom> allRSChiralCenters)
Deprecated.
Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral
centers
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static java.util.List<MolAtom> |
getNotAbsoluteRSChiralCenters(Molecule mol)
Deprecated.
Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral
centers
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static java.util.List<MolAtom> |
getrsChiralCenters(Molecule mol)
Deprecated.
Gets the (r) and (s) stereo centers of the molecule
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static java.util.List<MolAtom> |
getRSChiralCenters(Molecule mol)
Deprecated.
Gets the (R) and (S) chiral centers of the molecule
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static java.util.List<MolAtom> |
getUndefinedrsChiralCenters(Molecule mol)
Deprecated.
Gets the undefined (r) and (s) stereo centers of the molecule
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static java.util.List<MolAtom> |
getUndefinedRSChiralCenters(Molecule mol)
Deprecated.
Gets the undefined (R) and (S) chiral centers of the molecule
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static boolean |
isStereo(Molecule mol)
Deprecated.
Gets whether the molecule is stereo
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public static boolean isStereo(Molecule mol)
mol
- the target moleculepublic static java.util.List<MolAtom> getRSChiralCenters(Molecule mol)
mol
- the target moleculepublic static java.util.List<MolAtom> getUndefinedRSChiralCenters(Molecule mol)
mol
- the target moleculepublic static java.util.List<MolAtom> getNotAbsoluteRSChiralCenters(Molecule mol)
mol
- the target moleculepublic static java.util.List<MolAtom> getNotAbsoluteRSChiralCenters(java.util.List<MolAtom> allRSChiralCenters)
allRSChiralCenters
- list of chiral center atomspublic static java.util.List<MolAtom> getrsChiralCenters(Molecule mol)
mol
- the target molecule