Package jSimMacs.data

Examples of jSimMacs.data.ForceField

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   * @return
   */
  public ForceField findForceField(String forceField) {
    for (Iterator<ForceField> iterFF = forceFields.iterator(); iterFF
        .hasNext();) {
      ForceField ff = iterFF.next();
      if (ff.getShortName().equalsIgnoreCase(forceField))
        return ff;
    }
    return null;
  }
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    outputTopolField.setText(data.getOutputTopology());
    outputIndexField.setText(data.getOutputIndex());
    outputCleanField.setText(data.getOutputCleanStructure());
    outputPosreField.setText(data.getOutputIncludeFile());
    if (data.getForceField().length() != 0) {
      ForceField force = JSimLogic.getInstance().findForceField(
          data.getForceField());
      if (force != null)
        forceFieldBox.setSelectedItem(force);
    }
    if (data.getWaterModel().length() != 0)
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   */
  @Override
  public void startElement(String uri, String localName, String name,
      Attributes attributes) throws SAXException {
    if(name.equalsIgnoreCase(XMLConstants.FORCEFIELD)){
      ForceField field = new ForceField();
      field.setShortName(attributes.getValue(XMLConstants.FORCEFIELDSHORTNAME));
      field.setName(attributes.getValue(XMLConstants.FORCEFIELDNAME));
      forcefields.add(field);
    }
    if(name.equalsIgnoreCase(XMLConstants.WATERMODEL))
      watermodels.add(attributes.getValue(XMLConstants.WATERMODELNAME));
  }
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Related Classes of jSimMacs.data.ForceField

  • jSimMacs.display.gromacs.Pdb2gmxPanel
  • jSimMacs.fileIO.reader.XML.FieldsDefHandler
  • jSimMacs.logic.JSimLogic
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