Package org.jmol.symmetry
Class CIPDataTracker
java.lang.Object
org.jmol.symmetry.CIPData
org.jmol.symmetry.CIPDataTracker
An optional class to track digraph paths to decisions.
Used in Jmol to create the auxiliary structure _M.CIPInfo.
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Nested Class Summary
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Field Summary
FieldsModifier and TypeFieldDescriptiona table to track decision making when only one atom is selected for calculationprivate int
Fields inherited from class org.jmol.symmetry.CIPData
atoms, bsAromatic, bsAtoms, bsAtropisomeric, bsAzacyclic, bsEnes, bsHelixM, bsHelixP, bsKekuleAmbiguous, bsMolecule, bsNegativeAromatic, bsXAromatic, lstSmallRings, testRule6Full, TRIGONALITY_MIN, vNorm, vTemp, vwr
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptiongetModelAuxiliaryInfoForAtom
(int index) (package private) String
CIPDataTracker onlyprivate static String
protected boolean
Subclass identifierprivate void
setCIPInfo
(String s, int index, String name) (package private) void
track
(CIPChirality cip, CIPChirality.CIPAtom a, CIPChirality.CIPAtom b, int sphere, int finalScore, boolean trackTerminal) Track this decision - CIPDataTracker onlyMethods inherited from class org.jmol.symmetry.CIPData
checkHandedness, couldBeChiralAlkene, couldBeChiralAtom, getBondOrder, getEneKekule, getList, getTrigonality, init, isCis, isPositiveTorsion, isSmiles, match, set, setCoord, setRule6Full
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Field Details
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htTracker
a table to track decision making when only one atom is selected for calculation -
lastIndex
private int lastIndex -
lastInfo
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Constructor Details
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CIPDataTracker
public CIPDataTracker()
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Method Details
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isTracker
protected boolean isTracker()Description copied from class:CIPData
Subclass identifier -
track
void track(CIPChirality cip, CIPChirality.CIPAtom a, CIPChirality.CIPAtom b, int sphere, int finalScore, boolean trackTerminal) Description copied from class:CIPData
Track this decision - CIPDataTracker only -
getRootTrackerResult
Description copied from class:CIPData
CIPDataTracker only- Overrides:
getRootTrackerResult
in classCIPData
- Returns:
- string expression of decision path
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setCIPInfo
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getModelAuxiliaryInfoForAtom
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getTrackerKey
private static String getTrackerKey(CIPChirality.CIPAtom root, CIPChirality.CIPAtom a, CIPChirality.CIPAtom b)
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