use of no.uib.jsparklines.data.XYDataPoint in project peptide-shaker by compomics.
the class ProteinStructurePanel method pdbMatchesJTableMouseReleased.
// GEN-LAST:event_peptideTableMouseReleased
/**
* Update the PDB structure shown in the Jmol panel.
*
* @param evt
*/
private void pdbMatchesJTableMouseReleased(java.awt.event.MouseEvent evt) {
// GEN-FIRST:event_pdbMatchesJTableMouseReleased
setCursor(new java.awt.Cursor(java.awt.Cursor.WAIT_CURSOR));
boolean loadStructure = true;
if (pdbMatchesJTable.getSelectedRow() != -1 && currentlyDisplayedPdbFile != null) {
String tempPdbFile = (String) pdbMatchesJTable.getValueAt(pdbMatchesJTable.getSelectedRow(), pdbMatchesJTable.getColumn("PDB").getModelIndex());
if (currentlyDisplayedPdbFile.equalsIgnoreCase(tempPdbFile)) {
loadStructure = false;
}
}
if (loadStructure) {
// just a trick to make sure that the users cannot select
// another row until the selection has been updated
this.setEnabled(false);
DefaultTableModel dm = (DefaultTableModel) pdbChainsJTable.getModel();
dm.getDataVector().removeAllElements();
dm.fireTableDataChanged();
// clear the peptide to pdb mappings in the peptide table
for (int i = 0; i < peptideTable.getRowCount(); i++) {
peptideTable.setValueAt(false, i, peptideTable.getColumn("PDB").getModelIndex());
}
// select the peptide in the table again
int peptideRow = 0;
long peptideKey = peptideShakerGUI.getSelectedPeptideKey();
if (peptideKey != NO_KEY) {
peptideRow = getPeptideRow(peptideKey);
}
if (peptideTable.getRowCount() > 0) {
peptideTable.setRowSelectionInterval(peptideRow, peptideRow);
peptideTable.scrollRectToVisible(peptideTable.getCellRect(peptideRow, peptideRow, false));
}
// empty the jmol panel
if (jmolStructureShown) {
jmolPanel = new JmolPanel();
pdbPanel.removeAll();
pdbPanel.add(jmolPanel);
pdbPanel.revalidate();
pdbPanel.repaint();
jmolStructureShown = false;
currentlyDisplayedPdbFile = null;
((TitledBorder) pdbOuterPanel.getBorder()).setTitle(PeptideShakerGUI.TITLED_BORDER_HORIZONTAL_PADDING + "PDB Structure" + PeptideShakerGUI.TITLED_BORDER_HORIZONTAL_PADDING);
pdbOuterPanel.repaint();
}
if (pdbMatchesJTable.getSelectedRow() != -1) {
currentlyDisplayedPdbFile = (String) pdbMatchesJTable.getValueAt(pdbMatchesJTable.getSelectedRow(), pdbMatchesJTable.getColumn("PDB").getModelIndex());
// open protein link in web browser
if (pdbMatchesJTable.getSelectedColumn() == pdbMatchesJTable.getColumn("PDB").getModelIndex() && evt.getButton() == MouseEvent.BUTTON1 && ((String) pdbMatchesJTable.getValueAt(pdbMatchesJTable.getSelectedRow(), pdbMatchesJTable.getSelectedColumn())).lastIndexOf("<a href=\"") != -1) {
String temp = currentlyDisplayedPdbFile.substring(currentlyDisplayedPdbFile.indexOf("\"") + 1);
currentlyDisplayedPdbFile = temp.substring(0, temp.indexOf("\""));
this.setCursor(new java.awt.Cursor(java.awt.Cursor.WAIT_CURSOR));
BareBonesBrowserLaunch.openURL(currentlyDisplayedPdbFile);
this.setCursor(new java.awt.Cursor(java.awt.Cursor.DEFAULT_CURSOR));
}
// get the pdb file
int selectedPdbTableIndex = (Integer) pdbMatchesJTable.getValueAt(pdbMatchesJTable.getSelectedRow(), 0);
PdbParameter lParam = uniProtPdb.getPdbs().get(selectedPdbTableIndex - 1);
chains = lParam.getBlocks();
// get the protein sequence
SelfUpdatingTableModel proteinTableModel = (SelfUpdatingTableModel) proteinTable.getModel();
int proteinIndex = proteinTableModel.getViewIndex(proteinTable.getSelectedRow());
long proteinKey = proteinKeys[proteinIndex];
ProteinMatch proteinMatch = peptideShakerGUI.getIdentification().getProteinMatch(proteinKey);
String proteinSequence = peptideShakerGUI.getSequenceProvider().getSequence(proteinMatch.getLeadingAccession());
// add the chain information to the table
for (int j = 0; j < chains.length; j++) {
XYDataPoint temp = new XYDataPoint(chains[j].getStartProtein(), chains[j].getEndProtein());
if (chains[j].getStartProtein() != chains[j].getEndProtein()) {
((DefaultTableModel) pdbChainsJTable.getModel()).addRow(new Object[] { (j + 1), chains[j].getBlock(), temp, (((double) chains[j].getEndProtein() - chains[j].getStartProtein()) / proteinSequence.length()) * 100 });
}
}
((JSparklinesIntervalChartTableCellRenderer) pdbChainsJTable.getColumn("PDB-Protein").getCellRenderer()).setMaxValue(proteinSequence.length());
if (pdbChainsJTable.getRowCount() > 0) {
((TitledBorder) pdbChainsPanel.getBorder()).setTitle(PeptideShakerGUI.TITLED_BORDER_HORIZONTAL_PADDING + "PDB Chains (" + pdbChainsJTable.getRowCount() + ")" + PeptideShakerGUI.TITLED_BORDER_HORIZONTAL_PADDING);
} else {
((TitledBorder) pdbChainsPanel.getBorder()).setTitle(PeptideShakerGUI.TITLED_BORDER_HORIZONTAL_PADDING + "PDB Chains" + PeptideShakerGUI.TITLED_BORDER_HORIZONTAL_PADDING);
}
pdbChainsPanel.repaint();
if (pdbChainsJTable.getRowCount() > 0) {
pdbChainsJTable.setRowSelectionInterval(0, 0);
pdbChainsJTable.scrollRectToVisible(pdbChainsJTable.getCellRect(0, 0, false));
pdbChainsJTableMouseReleased(null);
}
} else {
((TitledBorder) pdbChainsPanel.getBorder()).setTitle(PeptideShakerGUI.TITLED_BORDER_HORIZONTAL_PADDING + "PDB Chains" + PeptideShakerGUI.TITLED_BORDER_HORIZONTAL_PADDING);
pdbChainsPanel.repaint();
}
// give the power back to the user ;)
this.setEnabled(true);
} else {
// open protein link in web browser
if (pdbMatchesJTable.getSelectedColumn() == pdbMatchesJTable.getColumn("PDB").getModelIndex() && evt.getButton() == MouseEvent.BUTTON1 && ((String) pdbMatchesJTable.getValueAt(pdbMatchesJTable.getSelectedRow(), pdbMatchesJTable.getSelectedColumn())).lastIndexOf("<a href=\"") != -1) {
String temp = currentlyDisplayedPdbFile.substring(currentlyDisplayedPdbFile.indexOf("\"") + 1);
currentlyDisplayedPdbFile = temp.substring(0, temp.indexOf("\""));
this.setCursor(new java.awt.Cursor(java.awt.Cursor.WAIT_CURSOR));
BareBonesBrowserLaunch.openURL(currentlyDisplayedPdbFile);
this.setCursor(new java.awt.Cursor(java.awt.Cursor.DEFAULT_CURSOR));
}
}
setCursor(new java.awt.Cursor(java.awt.Cursor.DEFAULT_CURSOR));
}
use of no.uib.jsparklines.data.XYDataPoint in project peptide-shaker by compomics.
the class ProteinStructurePanel method copyTableContentToClipboardOrFile.
/**
* Export the table contents to the clipboard.
*
* @param index the table index type
*/
private void copyTableContentToClipboardOrFile(TableIndex index) throws IOException {
final TableIndex tableIndex = index;
if (tableIndex == TableIndex.PROTEIN_TABLE || tableIndex == TableIndex.PEPTIDE_TABLE) {
HashMap<String, ArrayList<ExportFeature>> exportFeatures = new HashMap<>();
ArrayList<ExportFeature> sectionContent = new ArrayList<>();
String textFileFilterDescription = "Tab separated text file (.txt)";
String gzipFileFilterDescription = "Gzipped tab separated text file (.gz)";
String excelFileFilterDescription = "Excel Workbook (.xls)";
String lastSelectedFolderPath = peptideShakerGUI.getLastSelectedFolder().getLastSelectedFolder();
String exportName = "Export";
switch(tableIndex) {
case PROTEIN_TABLE:
exportName = "Protein table";
break;
case PEPTIDE_TABLE:
exportName = "Peptide table";
break;
default:
break;
}
FileAndFileFilter selectedFileAndFilter = FileChooserUtil.getUserSelectedFile(this, new String[] { ".xls", ".txt", ".gz" }, new String[] { excelFileFilterDescription, textFileFilterDescription, gzipFileFilterDescription }, "Export Report", lastSelectedFolderPath, exportName, false, true, false, 1);
if (selectedFileAndFilter != null) {
final File selectedFile = selectedFileAndFilter.getFile();
final ExportFormat exportFormat;
final boolean gzip;
if (selectedFileAndFilter.getFileFilter().getDescription().equalsIgnoreCase(textFileFilterDescription)) {
exportFormat = ExportFormat.text;
gzip = false;
} else if (selectedFileAndFilter.getFileFilter().getDescription().equalsIgnoreCase(gzipFileFilterDescription)) {
exportFormat = ExportFormat.text;
gzip = true;
} else {
exportFormat = ExportFormat.excel;
gzip = false;
}
progressDialog = new ProgressDialogX(peptideShakerGUI, Toolkit.getDefaultToolkit().getImage(getClass().getResource("/icons/peptide-shaker.gif")), Toolkit.getDefaultToolkit().getImage(getClass().getResource("/icons/peptide-shaker-orange.gif")), true);
progressDialog.setTitle("Exporting Data. Please Wait...");
final String filePath = selectedFile.getPath();
new Thread(new Runnable() {
public void run() {
try {
progressDialog.setVisible(true);
} catch (IndexOutOfBoundsException e) {
// ignore
}
}
}, "ProgressDialog").start();
new Thread("ExportThread") {
@Override
public void run() {
try {
switch(tableIndex) {
case PROTEIN_TABLE:
sectionContent.add(PsProteinFeature.starred);
sectionContent.add(PsProteinFeature.pi);
sectionContent.add(PsProteinFeature.accession);
sectionContent.add(PsProteinFeature.protein_description);
sectionContent.add(PsProteinFeature.protein_group);
sectionContent.add(PsProteinFeature.descriptions);
sectionContent.add(PsProteinFeature.other_proteins);
sectionContent.add(PsProteinFeature.chromosome);
sectionContent.add(PsProteinFeature.coverage);
sectionContent.add(PsProteinFeature.confident_coverage);
sectionContent.add(PsProteinFeature.all_coverage);
sectionContent.add(PsProteinFeature.possible_coverage);
sectionContent.add(PsProteinFeature.validated_peptides);
sectionContent.add(PsProteinFeature.peptides);
sectionContent.add(PsProteinFeature.unique_peptides);
sectionContent.add(PsProteinFeature.unique_validated_peptides);
sectionContent.add(PsProteinFeature.validated_psms);
sectionContent.add(PsProteinFeature.psms);
sectionContent.add(PsProteinFeature.spectrum_counting_nsaf);
sectionContent.add(PsProteinFeature.spectrum_counting_empai);
sectionContent.add(PsProteinFeature.spectrum_counting_nsaf_percent);
sectionContent.add(PsProteinFeature.spectrum_counting_empai_percent);
sectionContent.add(PsProteinFeature.spectrum_counting_nsaf_ppm);
sectionContent.add(PsProteinFeature.spectrum_counting_empai_ppm);
sectionContent.add(PsProteinFeature.spectrum_counting_nsaf_fmol);
sectionContent.add(PsProteinFeature.spectrum_counting_empai_fmol);
sectionContent.add(PsProteinFeature.mw);
sectionContent.add(PsProteinFeature.confidence);
sectionContent.add(PsProteinFeature.validated);
exportFeatures.put(PsProteinFeature.type, sectionContent);
ExportScheme validatedProteinReport = new ExportScheme("Protein Table", false, exportFeatures, "\t", true, true, 0, false, false, false);
PSExportFactory.writeExport(validatedProteinReport, selectedFile, exportFormat, gzip, peptideShakerGUI.getProjectParameters().getProjectUniqueName(), peptideShakerGUI.getProjectDetails(), peptideShakerGUI.getIdentification(), peptideShakerGUI.getIdentificationFeaturesGenerator(), peptideShakerGUI.getGeneMaps(), getDisplayedProteins(), null, null, peptideShakerGUI.getDisplayParameters().getnAASurroundingPeptides(), peptideShakerGUI.getIdentificationParameters(), peptideShakerGUI.getSequenceProvider(), peptideShakerGUI.getProteinDetailsProvider(), peptideShakerGUI.getSpectrumProvider(), peptideShakerGUI.getSpectrumCountingParameters(), progressDialog);
break;
case PEPTIDE_TABLE:
sectionContent.add(PsPeptideFeature.starred);
sectionContent.add(PsPeptideFeature.pi);
sectionContent.add(PsPeptideFeature.accessions);
sectionContent.add(PsPeptideFeature.protein_description);
sectionContent.add(PsPeptideFeature.protein_groups);
sectionContent.add(PsPeptideFeature.sequence);
sectionContent.add(PsPeptideFeature.modified_sequence);
sectionContent.add(PsPeptideFeature.position);
sectionContent.add(PsPeptideFeature.aaBefore);
sectionContent.add(PsPeptideFeature.aaAfter);
sectionContent.add(PsPeptideFeature.missed_cleavages);
sectionContent.add(PsPeptideFeature.variable_ptms);
sectionContent.add(PsPeptideFeature.fixed_ptms);
sectionContent.add(PsPeptideFeature.psms);
sectionContent.add(PsPeptideFeature.validated_psms);
sectionContent.add(PsPeptideFeature.confidence);
sectionContent.add(PsPeptideFeature.validated);
exportFeatures.put(PsPeptideFeature.type, sectionContent);
validatedProteinReport = new ExportScheme("Peptide Table", false, exportFeatures, "\t", true, true, 0, false, false, false);
PSExportFactory.writeExport(validatedProteinReport, selectedFile, exportFormat, gzip, peptideShakerGUI.getProjectParameters().getProjectUniqueName(), peptideShakerGUI.getProjectDetails(), peptideShakerGUI.getIdentification(), peptideShakerGUI.getIdentificationFeaturesGenerator(), peptideShakerGUI.getGeneMaps(), null, getDisplayedPeptides(), null, peptideShakerGUI.getDisplayParameters().getnAASurroundingPeptides(), peptideShakerGUI.getIdentificationParameters(), peptideShakerGUI.getSequenceProvider(), peptideShakerGUI.getProteinDetailsProvider(), peptideShakerGUI.getSpectrumProvider(), peptideShakerGUI.getSpectrumCountingParameters(), progressDialog);
break;
default:
break;
}
boolean processCancelled = progressDialog.isRunCanceled();
progressDialog.setRunFinished();
if (!processCancelled) {
JOptionPane.showMessageDialog(peptideShakerGUI, "Data copied to file:\n" + filePath, "Data Exported", JOptionPane.INFORMATION_MESSAGE);
}
} catch (FileNotFoundException e) {
progressDialog.setRunFinished();
JOptionPane.showMessageDialog(peptideShakerGUI, "An error occurred while generating the output. Please make sure " + "that the destination file is not opened by another application.", "Output Error", JOptionPane.ERROR_MESSAGE);
e.printStackTrace();
} catch (IllegalArgumentException e) {
if (e.getMessage().contains("Invalid row number (65536)")) {
progressDialog.setRunFinished();
JOptionPane.showMessageDialog(peptideShakerGUI, // @TODO: update the excel export library?
"An error occurred while generating the output. This format can contain only 65,535 lines.\n" + "Please use a text export instead.", "Output Error", JOptionPane.ERROR_MESSAGE);
e.printStackTrace();
} else {
progressDialog.setRunFinished();
JOptionPane.showMessageDialog(peptideShakerGUI, "An error occurred while generating the output.", "Output Error", JOptionPane.ERROR_MESSAGE);
e.printStackTrace();
}
} catch (Exception e) {
progressDialog.setRunFinished();
JOptionPane.showMessageDialog(peptideShakerGUI, "An error occurred while generating the output.", "Output Error", JOptionPane.ERROR_MESSAGE);
e.printStackTrace();
}
}
}.start();
}
} else if (tableIndex == TableIndex.PDB_MATCHES || tableIndex == TableIndex.PDB_CHAINS) {
// get the file to send the output to
File selectedFile = peptideShakerGUI.getUserSelectedFile("pdb_details.txt", ".txt", "Tab separated text file (.txt)", "Export...", false);
if (selectedFile != null) {
if (tableIndex == TableIndex.PDB_CHAINS) {
try (SimpleFileWriter writer = new SimpleFileWriter(selectedFile, false)) {
writer.writeLine("", "Chain", "PDB-Start", "PDB-End", "Coverage");
for (int i = 0; i < pdbChainsJTable.getRowCount(); i++) {
XYDataPoint pdbCoverage = (XYDataPoint) pdbChainsJTable.getValueAt(i, 2);
writer.writeLine(pdbChainsJTable.getValueAt(i, 0).toString(), pdbChainsJTable.getValueAt(i, 1).toString(), Double.toString(pdbCoverage.getX()), Double.toString(pdbCoverage.getY()), pdbChainsJTable.getValueAt(i, 3).toString());
}
JOptionPane.showMessageDialog(peptideShakerGUI, "Data copied to file:\n" + selectedFile.getPath(), "Data Exported", JOptionPane.INFORMATION_MESSAGE);
}
} else if (tableIndex == TableIndex.PDB_MATCHES) {
try (BufferedWriter writer = new BufferedWriter(new FileWriter(selectedFile))) {
Util.tableToFile(pdbMatchesJTable, "\t", null, true, writer);
JOptionPane.showMessageDialog(peptideShakerGUI, "Data copied to file:\n" + selectedFile.getPath(), "Data Exported", JOptionPane.INFORMATION_MESSAGE);
}
}
}
}
}
use of no.uib.jsparklines.data.XYDataPoint in project peptide-shaker by compomics.
the class FractionDetailsDialog method addData.
/**
* Add the data to the table.
*/
private void addData() {
ArrayList<String> fractions = peptideShakerGUI.getIdentification().getFractions();
HashMap<String, XYDataPoint> expectedMolecularWeightRanges = peptideShakerGUI.getIdentificationParameters().getFractionParameters().getFractionMolecularWeightRanges();
int lineNumber = 1;
for (String fraction : fractions) {
Double lower = 0.0;
Double upper = 0.0;
if (expectedMolecularWeightRanges != null) {
XYDataPoint dataPoint = expectedMolecularWeightRanges.get(fraction);
if (dataPoint != null) {
lower = dataPoint.getX();
upper = dataPoint.getY();
}
}
((DefaultTableModel) fractionTable.getModel()).addRow(new Object[] { lineNumber++, IoUtil.getFileName(fraction), lower, upper });
}
}
use of no.uib.jsparklines.data.XYDataPoint in project peptide-shaker by compomics.
the class FractionDetailsDialog method importFractionRangesButtonActionPerformed.
// GEN-LAST:event_fractionTableMouseReleased
/**
* Import the fraction ranges from file.
*
* @param evt the action event
*/
private void importFractionRangesButtonActionPerformed(java.awt.event.ActionEvent evt) {
// GEN-FIRST:event_importFractionRangesButtonActionPerformed
// get the file to get the fraction ranges from
final File selectedFile = peptideShakerGUI.getUserSelectedFile(null, ".txt", "Tab separated text file (.txt)", "Import...", true);
if (selectedFile != null) {
ArrayList<XYDataPoint> lowerAndUpper = new ArrayList<>();
try {
FileReader r = new FileReader(selectedFile);
BufferedReader br = new BufferedReader(r);
String line = br.readLine();
while (line != null) {
String[] values = line.split("\\t");
lowerAndUpper.add(new XYDataPoint(Double.valueOf(values[0]), Double.valueOf(values[1])));
line = br.readLine();
}
br.close();
r.close();
} catch (FileNotFoundException e) {
e.printStackTrace();
JOptionPane.showMessageDialog(this, "Could not find the file \'" + selectedFile.getAbsolutePath() + "\'.", "File Not Found", JOptionPane.WARNING_MESSAGE);
} catch (IOException e) {
e.printStackTrace();
JOptionPane.showMessageDialog(this, "An error occurred when parsing the file \'" + selectedFile.getAbsolutePath() + "\'.", "File Error", JOptionPane.ERROR_MESSAGE);
} catch (NumberFormatException e) {
e.printStackTrace();
JOptionPane.showMessageDialog(this, "One of the values in the file is not a number.\nPlease include tab separated values only.", "File Error", JOptionPane.WARNING_MESSAGE);
}
if (lowerAndUpper.size() > fractionTable.getRowCount()) {
JOptionPane.showMessageDialog(this, "There are more values in the file than there are rows in the table!\nSome rows will be ignored.", "File Error", JOptionPane.WARNING_MESSAGE);
}
for (int i = 0; i < lowerAndUpper.size(); i++) {
((DefaultTableModel) fractionTable.getModel()).setValueAt(lowerAndUpper.get(i).getX(), i, 2);
((DefaultTableModel) fractionTable.getModel()).setValueAt(lowerAndUpper.get(i).getY(), i, 3);
}
}
}
use of no.uib.jsparklines.data.XYDataPoint in project peptide-shaker by compomics.
the class FractionDetailsDialog method okButtonActionPerformed.
// GEN-LAST:event_fractionTableKeyReleased
/**
* Save the order of the fractions and close the dialog.
*
* @param evt the action event
*/
private void okButtonActionPerformed(java.awt.event.ActionEvent evt) {
// GEN-FIRST:event_okButtonActionPerformed
ArrayList<String> spectrumFiles = new ArrayList<>();
HashMap<String, XYDataPoint> fractionRanges = new HashMap<>();
for (int i = 0; i < fractionTable.getRowCount(); i++) {
String fileName = (String) fractionTable.getValueAt(i, fractionTable.getColumn("Fraction").getModelIndex());
spectrumFiles.add(IoUtil.removeExtension(fileName));
Double lower = (Double) fractionTable.getValueAt(i, fractionTable.getColumn("Lower Range (kDa)").getModelIndex());
Double upper = (Double) fractionTable.getValueAt(i, fractionTable.getColumn("Upper Range (kDa)").getModelIndex());
fractionRanges.put(fileName, new XYDataPoint(lower, upper));
}
peptideShakerGUI.setUpdated(PeptideShakerGUI.PROTEIN_FRACTIONS_TAB_INDEX, false);
if (peptideShakerGUI.getSelectedTab() == PeptideShakerGUI.PROTEIN_FRACTIONS_TAB_INDEX) {
peptideShakerGUI.getProteinFractionsPanel().displayResults();
}
peptideShakerGUI.getIdentification().setFractions(spectrumFiles);
peptideShakerGUI.getIdentificationParameters().getFractionParameters().setFractionMolecularWeightRanges(fractionRanges);
this.setVisible(false);
this.dispose();
}
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