Package org.jmol.smiles
Class SmilesSearch
java.lang.Object
org.jmol.util.JmolMolecule
org.jmol.smiles.SmilesSearch
A class to build and carry out a SMILES or SMARTS match
- Author:
- Bob Hanson hansonr@stolaf.edu
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Nested Class Summary
Nested Classes -
Field Summary
FieldsModifier and TypeFieldDescriptionboolean
boolean
indicates that we have [XxPHn] with no connected atomsFields 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
Methods inherited from class org.jmol.util.JmolMolecule
addMolecule, getBitSetForMF, getBranchBitSet, getBranchesForInversion, getMFArray, getMolecularFormula, getMolecularFormulaAtoms, getMolecules