Package org.bmdrc.chemistry.tool

Examples of org.bmdrc.chemistry.tool.MpeoeAndCdeapCalculator


        return true;
    }
   
    private void __calculateMpeoeAndCdeap() {
        try {
            MpeoeAndCdeapCalculator theCalculator = new MpeoeAndCdeapCalculator();
           
            theCalculator.generateMpeoeAndCdeapListByMoleculeFile(new File(this.getFrame().getFilePathTextFieldList().get(this.INPUT_FILE_PATH_INDEX).getText()), false);
            theCalculator.writeMpeoeAndCdeapInMoleculeFile(new File(this.getFrame().getFilePathTextFieldList().get(this.RESULT_FILE_PATH_INDEX).getText()));
        } catch (FileNotFoundException ex) {
            JOptionPane.showMessageDialog(null, "Input file이 존재하지 않습니다.", "Error", JOptionPane.ERROR_MESSAGE);
        } catch (IOException ex) {
            JOptionPane.showMessageDialog(null, "IOException Error!!", "Error", JOptionPane.ERROR_MESSAGE);
        }
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