Package org.openscience.cdk.formula

Examples of org.openscience.cdk.formula.MolecularFormula.addIsotope()

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    MolecularFormula cdkFormula = new MolecularFormula();

    for (int i = 0; i < elementRules.length; i++) {
      if (currentCounts[i] == 0)
        continue;
      cdkFormula.addIsotope(elementRules[i].getElementObject(),
          currentCounts[i]);
    }

    return cdkFormula;
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