public class CIPDataTracker extends CIPData
| Modifier and Type | Class and Description |
|---|---|
(package private) class |
CIPDataTracker.CIPTracker |
| Modifier and Type | Field and Description |
|---|---|
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 |
|---|
CIPDataTracker() |
| Modifier and Type | Method and Description |
|---|---|
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, setRule6Fullpublic 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()
CIPDatavoid track(CIPChirality cip, CIPChirality.CIPAtom a, CIPChirality.CIPAtom b, int sphere, int finalScore, boolean trackTerminal)
CIPDatajava.lang.String getRootTrackerResult(CIPChirality.CIPAtom root)
CIPDatagetRootTrackerResult in class CIPDataprivate 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)