public class CIPDataTracker extends CIPData
Modifier and Type | Class and Description |
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(package private) class |
CIPDataTracker.CIPTracker |
Modifier and Type | Field and Description |
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java.util.Map<java.lang.String,CIPDataTracker.CIPTracker> |
htTracker
a table to track decision making when only one atom is selected for
calculation
|
private int |
lastIndex |
private java.util.Map<java.lang.String,java.lang.Object> |
lastInfo |
atoms, bsAromatic, bsAtoms, bsAtropisomeric, bsAzacyclic, bsEnes, bsHelixM, bsHelixP, bsKekuleAmbiguous, bsMolecule, bsNegativeAromatic, bsXAromatic, lstSmallRings, testRule6Full, TRIGONALITY_MIN, vNorm, vTemp, vwr
Constructor and Description |
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CIPDataTracker() |
Modifier and Type | Method and Description |
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private java.util.Map<java.lang.String,java.lang.Object> |
getModelAuxiliaryInfoForAtom(int index) |
(package private) java.lang.String |
getRootTrackerResult(CIPChirality.CIPAtom root)
CIPDataTracker only
|
private static java.lang.String |
getTrackerKey(CIPChirality.CIPAtom root,
CIPChirality.CIPAtom a,
CIPChirality.CIPAtom b) |
protected boolean |
isTracker()
Subclass identifier
|
private void |
setCIPInfo(java.lang.String s,
int index,
java.lang.String name) |
(package private) void |
track(CIPChirality cip,
CIPChirality.CIPAtom a,
CIPChirality.CIPAtom b,
int sphere,
int finalScore,
boolean trackTerminal)
Track this decision - CIPDataTracker only
|
checkHandedness, couldBeChiralAlkene, couldBeChiralAtom, getBondOrder, getEneKekule, getList, getTrigonality, init, isCis, isPositiveTorsion, isSmiles, match, set, setCoord, setRule6Full
public java.util.Map<java.lang.String,CIPDataTracker.CIPTracker> htTracker
private int lastIndex
private java.util.Map<java.lang.String,java.lang.Object> lastInfo
protected boolean isTracker()
CIPData
void track(CIPChirality cip, CIPChirality.CIPAtom a, CIPChirality.CIPAtom b, int sphere, int finalScore, boolean trackTerminal)
CIPData
java.lang.String getRootTrackerResult(CIPChirality.CIPAtom root)
CIPData
getRootTrackerResult
in class CIPData
private void setCIPInfo(java.lang.String s, int index, java.lang.String name)
private java.util.Map<java.lang.String,java.lang.Object> getModelAuxiliaryInfoForAtom(int index)
private static java.lang.String getTrackerKey(CIPChirality.CIPAtom root, CIPChirality.CIPAtom a, CIPChirality.CIPAtom b)