Esempio n. 1
0
  private void setElement(String code) {

    String[] elion = code.split(point);
    int n = Integer.valueOf(elion[0]).intValue();
    ChemicalElementType chel = new ChemicalElementType();
    chel.setElementSymbol(element[n]);
    chel.setNuclearCharge(Integer.valueOf(elion[0]));
    atom.setChemicalElement(chel);
    IsotopeParametersType isp = new IsotopeParametersType();
    // isp.setMassNumber(Integer.valueOf(elion[1]));
    // ist.setIsotopeParameters(isp);
    is.setIonCharge(Integer.valueOf(elion[1]));
  }
Esempio n. 2
0
  private void removeUnnecessaryData() {
    Set<AtomType> clear = Sets.newHashSet();
    List<Atom> atoms = Lists.newArrayList();
    List<AtomType> atomTypes = structure.getAtomTypes();

    for (Section section : structure.getSections()) {
      if (section.getSectionType().equals(SectionType.STRUCTUREDATA)) {
        atoms.addAll(section.getAtoms());
      }
    }
    for (AtomType atomType : atomTypes) {
      AtomType delete = atomType;
      for (Atom atom : atoms) {
        if (atomType.getName().contains(atom.getType())) {
          delete = null;
        }
      }
      if (delete != null) {
        clear.add(delete);
      }
    }
    clear.forEach(atomTypes::remove);
  }
Esempio n. 3
0
  public void build() {

    rt = null;
    root = new XSAMSData();
    procs = new ProcessesType();
    rad = new Radiative();
    atoms = new Atoms();
    sources = new Sources();
    procs.setRadiative(rad);
    states = new StatesType();
    states.setAtoms(atoms);
    root.setStates(states);
    root.setProcesses(procs);

    try {
      int nr = 0;

      while (rs.next()) {

        rt = new RadiativeTransitionType();
        rtp = new RadiativeTransitionProbabilityType();
        rt.getProbabilities().add(rtp);
        atom = new AtomType();

        ist = new IsotopeType();
        atom.getIsotopes().add(ist);
        is = new IonStateType();
        ist.getIonStates().add(is);
        aslow = new AtomicStateType();
        asup = new AtomicStateType();

        aslow.setStateID("Initial_" + nr);
        asup.setStateID("Final_" + nr);

        andtlow = new AtomicNumericalDataType();
        andtup = new AtomicNumericalDataType();
        aslow.setAtomicNumericalData(andtlow);
        asup.setAtomicNumericalData(andtup);
        is.getAtomicStates().add(aslow);
        is.getAtomicStates().add(asup);

        aqnlow = new AtomicQuantumNumbersType();
        aqnup = new AtomicQuantumNumbersType();
        aslow.setAtomicQuantumNumbers(aqnlow);
        asup.setAtomicQuantumNumbers(aqnup);

        aclow = new AtomicCompositionType();
        acup = new AtomicCompositionType();
        aslow.setAtomicComposition(aclow);
        asup.setAtomicComposition(acup);

        acmlow = new AtomicComponentType();
        acmup = new AtomicComponentType();
        conflow = new ConfigurationType();
        acmlow.setConfiguration(conflow);
        confup = new ConfigurationType();
        acmup.setConfiguration(confup);
        aclow.getComponents().add(acmlow);
        acup.getComponents().add(acmup);

        termlow = new TermType();
        termup = new TermType();
        acmlow.setTerm(termlow);
        acmup.setTerm(termup);

        wavelength = ((Double) (rs.getObject("wavelength"))).doubleValue();
        code = rs.getObject("code").toString();
        loggf = ((Double) (rs.getObject("loggf"))).doubleValue();
        E_low = ((Double) (rs.getObject("E_low"))).doubleValue();
        E_up = ((Double) (rs.getObject("E_up"))).doubleValue();
        J_low = ((Double) (rs.getObject("J_low"))).doubleValue();
        J_up = ((Double) (rs.getObject("J_up"))).doubleValue();
        g_low = ((Double) (rs.getObject("g_low"))).doubleValue();
        g_up = ((Double) (rs.getObject("g_up"))).doubleValue();
        Connection_low = rs.getObject("Connection_low").toString();
        Connection_up = rs.getObject("Connection_up").toString();
        Conf_low = rs.getObject("Conf_low").toString();
        Conf_up = rs.getObject("Conf_up").toString();
        Term_low = rs.getObject("Term_low").toString();
        Term_up = rs.getObject("Term_up").toString();
        Ref = rs.getObject("Ref").toString();
        Comments = rs.getObject("Ref").toString();

        setWavelength(wavelength);
        setElement(code);
        setProbability(loggf);
        setElow(E_low);
        setEup(E_up);
        setglow(g_low);
        setgup(g_up);
        setQNlow(J_low);
        setQNup(J_up);
        //      setConnlow(Connection_low);
        //      setConnup(Connection_up);
        setConflow(Conf_low);
        setConfup(Conf_up);
        setComments(Comments);

        atoms.getAtoms().add(atom);
        rad.getRadiativeTransitions().add(rt);
        nr++;
      }
      data2xml();
      con.close();
      rs.close();
    } catch (Exception e) {
      System.out.println(e.toString());
    }
  }