Package org.jmol.smiles
Class SmilesSearch.SmilesTarget
java.lang.Object
org.jmol.util.JmolMolecule
org.jmol.smiles.SmilesSearch.SmilesTarget
- Enclosing class:
SmilesSearch
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Field Summary
Fields inherited from class org.jmol.util.JmolMolecule
ac, altElementCounts, altElementMax, atNos, atomList, elementCounts, elementNumberMax, firstAtomIndex, indexInModel, mf, modelIndex, moleculeIndex, nElements, nodes
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
void
finalizeAromatic
(Lst<BS> lstAromatic) void
boolean
hasRingData
(int flags) void
int
setRingData
(int strictness, boolean needRingData, int ringDataMax) Methods inherited from class org.jmol.util.JmolMolecule
addMolecule, getBitSetForMF, getBranchBitSet, getBranchesForInversion, getMFArray, getMolecularFormula, getMolecularFormulaAtoms, getMolecules
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Constructor Details
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SmilesTarget
public SmilesTarget()
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Method Details
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hasRingData
public boolean hasRingData(int flags) -
setAtoms
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checkAromaticDefined
public void checkAromaticDefined() -
setRingData
public int setRingData(int strictness, boolean needRingData, int ringDataMax) -
finalizeAromatic
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finalizeRingData
public void finalizeRingData()
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