Package org.bmdrc.nmr.tool

Examples of org.bmdrc.nmr.tool.DBSearcher


    private static final long serialVersionUID = -8249962982351770507L;

    public static void calculate(MainFrame theFrame) {
        switch (theFrame.getSelectedCalculationMethod()) {
            case NmrInCalculateButtonActionListener.DB_SEARCH_USING_2D_NMR:
                DBSearcher theSearcher = new DBSearcher(new File(theFrame.getFilePathTextFieldList().get(NmrInCalculateButtonActionListener.INPUT_MOLECULE_FILE_PATH_INDEX_IN_DB_SEARCHER).getText()),
                        Integer.parseInt(theFrame.getFilePathTextFieldList().get(NmrInCalculateButtonActionListener.MAXIMUM_QUTENARY_TOPOLOGICAL_DISTANCE_INDEX_IN_DB_SEARCHER).getText()),
                        Integer.parseInt(theFrame.getFilePathTextFieldList().get(NmrInCalculateButtonActionListener.MAXIMUM_OTHER_TOPOLOGICAL_DISTANCE_INDEX_IN_DB_SEARCHER).getText()));
                theSearcher.searchMatchedMoleculeIn2DNMR();
                theSearcher.writeResultMoleculeSet(new File(theFrame.getFilePathTextFieldList().get(NmrInCalculateButtonActionListener.RESULT_FILE_PATH_INDEX_IN_DB_SEARCHER).getText()));
                break;
            case NmrInCalculateButtonActionListener.HOSE_CODE_GENERATION:
                HoseCodeGenerator.generateHoseCode(theFrame.getFilePathTextFieldList().get(NmrInCalculateButtonActionListener.INPUT_MOLECULE_FILE_PATH_INDEX_IN_HOSE_CODE_GENERATOR).getText(),
                        theFrame.getFilePathTextFieldList().get(NmrInCalculateButtonActionListener.RESULT_MOLECULE_FILE_PATH_INDEX_IN_HOSE_CODE_GENERATOR).getText(),
                        Integer.parseInt(theFrame.getFilePathTextFieldList().get(NmrInCalculateButtonActionListener.LEVEL_OF_HOSE_CODE_INDEX_IN_HOSE_CODE_GENERATOR).getText()));
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