Package jSimMacs.data

Examples of jSimMacs.data.SimStepData

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  private ProjectType createEmptyProjectType() {
    ProjectType type = new ProjectType(JSimConstants.EMPTYPROJECTSTRING);
    type.getCommandData().add(new Pdb2gmxData());
    type.getCommandData().add(new EditconfData());
    type.getCommandData().add(new GenboxData());
    type.getCommandData().add(new SimStepData());
    return type;
  }
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      if (attributes.getValue(XMLConstants.COMMANDOPTIONS) != null) {
        genboxData.setAdditionalCommand(attributes
            .getValue(XMLConstants.COMMANDOPTIONS));
      }
    } else if (name.equalsIgnoreCase(XMLConstants.SIMSTEP)) {
      simStepData = new SimStepData();
      simStepData.setShortName(attributes
          .getValue(XMLConstants.SHORTNAMEOFTAB));
      simStepData.setName(attributes.getValue(XMLConstants.NAMEOFTAB));
    } else if (name.equalsIgnoreCase(XMLConstants.GROMPP)) {
      processGrompp = true;
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  }

  private void initData() {
    SimStepData simData = (SimStepData) project.getType().getCommandData()
        .get(pos);
    if(simData.getShortName() != null && simData.getShortName().length() != 0)
      nameConvention = simData.getShortName();
    data = simData.getGromppData();
    inputField.setText(data.getInputStructure());
    inputEnergyField.setText(data.getInputEnergy());
    inputFreeEnergyField.setText(data.getInputCoordB());
    inputGromppField.setText(data.getInputGrompp());
    inputIndexField.setText(data.getInputIndex());
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  }

  public void updateData() {
    CommandStep prevData = project.getType().getCommandData().get(pos - 1);
    if (prevData instanceof SimStepData) {
      SimStepData simStepData = (SimStepData) prevData;
      MdrunData mdrunData = simStepData.getMdrunData();
      inputField.setText(mdrunData.getOutputStructure());
    }
    else{
      inputField.setText(prevData.getOutput());
    }
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Related Classes of jSimMacs.data.SimStepData

  • jSimMacs.display.gromacs.GromppPanel
  • jSimMacs.fileIO.reader.XML.ProjectTypeIniHandler
  • jSimMacs.logic.JSimLogic
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