Package chemaxon.checkers
Class StereoCheckUtility
java.lang.Object
chemaxon.checkers.StereoCheckUtility
Deprecated.
Will be removed from the public API.
Utility class for stereo chemistry checkers
- Since:
- 5.10
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionDeprecated.Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centersgetNotAbsoluteRSChiralCenters
(List<MolAtom> allRSChiralCenters) Deprecated.Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centersDeprecated.Gets the (r) and (s) stereo centers of the moleculeDeprecated.Gets the (R) and (S) chiral centers of the moleculeDeprecated.Gets the undefined (r) and (s) stereo centers of the moleculeDeprecated.Gets the undefined (R) and (S) chiral centers of the moleculestatic boolean
Deprecated.Gets whether the molecule is stereo
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Constructor Details
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StereoCheckUtility
public StereoCheckUtility()Deprecated.
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Method Details
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isStereo
Deprecated.Gets whether the molecule is stereo- Parameters:
mol
- the target molecule- Returns:
- whether the molecule is stereo
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getRSChiralCenters
Deprecated.Gets the (R) and (S) chiral centers of the molecule- Parameters:
mol
- the target molecule- Returns:
- the (R) and (S) chiral centers of the molecule
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getUndefinedRSChiralCenters
Deprecated.Gets the undefined (R) and (S) chiral centers of the molecule- Parameters:
mol
- the target molecule- Returns:
- the undefined (R) and (S) chiral centers of the molecule
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getNotAbsoluteRSChiralCenters
Deprecated.Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers- Parameters:
mol
- the target molecule- Returns:
- the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers
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getNotAbsoluteRSChiralCenters
Deprecated.Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers- Parameters:
allRSChiralCenters
- list of chiral center atoms- Returns:
- the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers
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getrsChiralCenters
Deprecated.Gets the (r) and (s) stereo centers of the molecule- Parameters:
mol
- the target molecule- Returns:
- the (r) and (s) stereo centers of the molecule
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getUndefinedrsChiralCenters
Deprecated.Gets the undefined (r) and (s) stereo centers of the molecule- Parameters:
mol
- the target molecule- Returns:
- the undefined (r) and (s) stereo centers of the molecule
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