Make VtkPlot more object-oriented

avogadro/qtplugins/plotpdf/plotpdf.cpp

@@ -152,8 +152,14 @@ void PlotPdf::displayDialog()
   const char* yTitle = "g(r)";
   const char* windowName = "Pair Distribution Function";
 
-  VTK::VtkPlot::generatePlot(data, lineLabels, lineColors, xTitle, yTitle,
-                             windowName);
+  m_plot.reset(new VTK::VtkPlot());
+  m_plot->setData(data);
+  m_plot->setWindowName(windowName);
+  m_plot->setXTitle(xTitle);
+  m_plot->setYTitle(yTitle);
+  m_plot->setLineLabels(lineLabels);
+  m_plot->setLineColors(lineColors);
+  m_plot->show();
 }
 
 bool PlotPdf::generatePdfPattern(QtGui::Molecule& mol, PdfData& results,

avogadro/qtplugins/plotpdf/plotpdf.h

@@ -23,6 +23,10 @@
 class QByteArray;
 class QStringList;
 
+namespace VTK {
+class VtkPlot;
+}
+
 namespace Avogadro {
 namespace QtPlugins {
 
@@ -71,6 +75,7 @@ private slots:
 
   QScopedPointer<PdfOptionsDialog> m_pdfOptionsDialog;
   QScopedPointer<QAction> m_displayDialogAction;
+  QScopedPointer<VTK::VtkPlot> m_plot;
 };
 
 inline QString PlotPdf::description() const

avogadro/qtplugins/plotrmsd/plotrmsd.cpp

@@ -131,8 +131,14 @@ void PlotRmsd::displayDialog()
   const char* yTitle = "RMSD (Angstrom)";
   const char* windowName = "RMSD Curve";
 
-  VTK::VtkPlot::generatePlot(data, lineLabels, lineColors, xTitle, yTitle,
-                             windowName);
+  m_plot.reset(new VTK::VtkPlot());
+  m_plot->setData(data);
+  m_plot->setWindowName(windowName);
+  m_plot->setXTitle(xTitle);
+  m_plot->setYTitle(yTitle);
+  m_plot->setLineLabels(lineLabels);
+  m_plot->setLineColors(lineColors);
+  m_plot->show();
 }
 
 void PlotRmsd::generateRmsdPattern(RmsdData& results)

avogadro/qtplugins/plotrmsd/plotrmsd.h

@@ -25,6 +25,10 @@
 class QByteArray;
 class QStringList;
 
+namespace VTK {
+class VtkPlot;
+}
+
 namespace Avogadro {
 namespace QtPlugins {
 
@@ -66,6 +70,7 @@ private slots:
   QtGui::Molecule* m_molecule;
 
   std::unique_ptr<QAction> m_displayDialogAction;
+  std::unique_ptr<VTK::VtkPlot> m_plot;
 };
 
 inline QString PlotRmsd::description() const

avogadro/qtplugins/plotxrd/plotxrd.cpp

@@ -150,8 +150,14 @@ void PlotXrd::displayDialog()
   const char* yTitle = "Intensity";
   const char* windowName = "Theoretical XRD Pattern";
 
-  VTK::VtkPlot::generatePlot(data, lineLabels, lineColors, xTitle, yTitle,
-                             windowName);
+  m_plot.reset(new VTK::VtkPlot());
+  m_plot->setData(data);
+  m_plot->setWindowName(windowName);
+  m_plot->setXTitle(xTitle);
+  m_plot->setYTitle(yTitle);
+  m_plot->setLineLabels(lineLabels);
+  m_plot->setLineColors(lineColors);
+  m_plot->show();
 }
 
 bool PlotXrd::generateXrdPattern(const QtGui::Molecule& mol, XrdData& results,

avogadro/qtplugins/plotxrd/plotxrd.h

@@ -25,6 +25,10 @@
 class QByteArray;
 class QStringList;
 
+namespace VTK {
+class VtkPlot;
+}
+
 namespace Avogadro {
 namespace QtPlugins {
 
@@ -86,6 +90,7 @@ private slots:
 
   std::unique_ptr<XrdOptionsDialog> m_xrdOptionsDialog;
   std::unique_ptr<QAction> m_displayDialogAction;
+  std::unique_ptr<VTK::VtkPlot> m_plot;
 };
 
 inline QString PlotXrd::description() const

avogadro/vtk/vtkplot.cpp

@@ -43,28 +43,41 @@ using std::vector;
 namespace Avogadro {
 namespace VTK {
 
-void VtkPlot::generatePlot(const vector<vector<double>>& data,
-                           const vector<string>& lineLabels,
-                           const vector<array<double, 4>>& lineColors,
-                           const char* xTitle, const char* yTitle,
-                           const char* windowName)
+VtkPlot::VtkPlot() : m_widget(new QVTKOpenGLWidget)
+{
+  m_widget->SetRenderWindow(m_renderWindow);
+
+  // Set up the view
+  m_widget->setFormat(QVTKOpenGLWidget::defaultFormat());
+  m_view->SetRenderWindow(m_renderWindow);
+  m_view->GetRenderer()->SetBackground(1.0, 1.0, 1.0);
+  m_view->GetRenderWindow()->SetSize(600, 600);
+
+  // Add the chart
+  m_view->GetScene()->AddItem(m_chart);
+
+  vtkAxis* bottomAxis = m_chart->GetAxis(vtkAxis::BOTTOM);
+  vtkAxis* leftAxis = m_chart->GetAxis(vtkAxis::LEFT);
+
+  // Increase the title font sizes
+  bottomAxis->GetTitleProperties()->SetFontSize(20);
+  leftAxis->GetTitleProperties()->SetFontSize(20);
+
+  // Increase the tick font sizes
+  bottomAxis->GetLabelProperties()->SetFontSize(20);
+  leftAxis->GetLabelProperties()->SetFontSize(20);
+}
+
+VtkPlot::~VtkPlot() = default;
+
+void VtkPlot::setData(const vector<vector<double>>& data)
 {
   if (data.size() < 2) {
     std::cerr << "Error in " << __FUNCTION__
               << ": data must be of size 2 or greater!\n";
     return;
   }
 
-  // Create a table and add the data as columns
-  vtkNew<vtkTable> table;
-
-  for (size_t i = 0; i < data.size(); ++i) {
-    vtkNew<vtkFloatArray> array;
-    // Unique column names are necessary to prevent vtk from crashing.
-    array->SetName(("Column " + std::to_string(i)).c_str());
-    table->AddColumn(array);
-  }
-
   // All of the rows must be equal in size currently. Otherwise, we get
   // a garbage plot. We may be able to improve on this in the future.
   size_t numRows = data[0].size();
@@ -76,70 +89,67 @@ void VtkPlot::generatePlot(const vector<vector<double>>& data,
     }
   }
 
+  // Erase the current table
+  while (m_table->GetNumberOfRows() > 0)
+    m_table->RemoveRow(0);
+
+  for (size_t i = 0; i < data.size(); ++i) {
+    vtkNew<vtkFloatArray> array;
+    // Unique column names are necessary to prevent vtk from crashing.
+    array->SetName(("Column " + std::to_string(i)).c_str());
+    m_table->AddColumn(array);
+  }
+
   // Put the data in the table
-  table->SetNumberOfRows(numRows);
+  m_table->SetNumberOfRows(numRows);
   for (size_t i = 0; i < data.size(); ++i) {
     for (size_t j = 0; j < data[i].size(); ++j) {
-      table->SetValue(j, i, data[i][j]);
+      m_table->SetValue(j, i, data[i][j]);
     }
   }
+}
 
-  // Set up the view
-  vtkNew<vtkGenericOpenGLRenderWindow> renderWindow;
-  QVTKOpenGLWidget* widget = new QVTKOpenGLWidget();
-  widget->SetRenderWindow(renderWindow);
-  // Hackish, but at least it won't leak
-  widget->setAttribute(Qt::WA_DeleteOnClose);
-  widget->setFormat(QVTKOpenGLWidget::defaultFormat());
-  vtkNew<vtkContextView> view;
-  view->SetRenderWindow(renderWindow);
-  view->GetRenderer()->SetBackground(1.0, 1.0, 1.0);
-  view->GetRenderWindow()->SetSize(600, 600);
-  view->GetRenderWindow()->SetWindowName(windowName);
-
-  // Add the chart
-  vtkNew<vtkChartXY> chart;
-  view->GetScene()->AddItem(chart);
-
-  vtkAxis* bottomAxis = chart->GetAxis(vtkAxis::BOTTOM);
-  vtkAxis* leftAxis = chart->GetAxis(vtkAxis::LEFT);
+void VtkPlot::setWindowName(const char* windowName)
+{
+  m_view->GetRenderWindow()->SetWindowName(windowName);
+}
 
-  // Set the axis titles
+void VtkPlot::setXTitle(const char* xTitle)
+{
+  vtkAxis* bottomAxis = m_chart->GetAxis(vtkAxis::BOTTOM);
   bottomAxis->SetTitle(xTitle);
-  leftAxis->SetTitle(yTitle);
-
-  // Increase the title font sizes
-  bottomAxis->GetTitleProperties()->SetFontSize(20);
-  leftAxis->GetTitleProperties()->SetFontSize(20);
+}
 
-  // Increase the tick font sizes
-  bottomAxis->GetLabelProperties()->SetFontSize(20);
-  leftAxis->GetLabelProperties()->SetFontSize(20);
+void VtkPlot::setYTitle(const char* yTitle)
+{
+  vtkAxis* leftAxis = m_chart->GetAxis(vtkAxis::LEFT);
+  leftAxis->SetTitle(yTitle);
+}
 
-  // Adjust the range on the x axis
-  bottomAxis->SetBehavior(vtkAxis::FIXED);
-  bottomAxis->SetRange(data[0].front(), data[0].back());
+void VtkPlot::show()
+{
+  // First, clear all previous plots
+  m_chart->ClearPlots();
 
   // Add the lines to the chart
-  for (size_t i = 1; i < data.size(); ++i) {
-    vtkPlot* line = chart->AddPlot(vtkChart::LINE);
-    line->SetInputData(table, 0, i);
+  for (size_t i = 1; i < m_table->GetNumberOfColumns(); ++i) {
+    vtkPlot* line = m_chart->AddPlot(vtkChart::LINE);
+    line->SetInputData(m_table, 0, i);
 
     // If we have a label for this line, set it
-    if (i <= lineLabels.size())
-      line->SetLabel(lineLabels[i - 1]);
+    if (i <= m_lineLabels.size())
+      line->SetLabel(m_lineLabels[i - 1]);
 
     // If we have a color for this line, set it (rgba)
-    if (i <= lineColors.size()) {
-      line->SetColor(lineColors[i - 1][0], lineColors[i - 1][1],
-                     lineColors[i - 1][2], lineColors[i - 1][3]);
+    if (i <= m_lineColors.size()) {
+      line->SetColor(m_lineColors[i - 1][0], m_lineColors[i - 1][1],
+                     m_lineColors[i - 1][2], m_lineColors[i - 1][3]);
     }
 
     line->SetWidth(2.0);
   }
 
-  // Start the widget, we probably want to improve this in future.
-  widget->show();
+  m_widget->show();
 }
 
 } // namespace VTK

avogadro/vtk/vtkplot.h

@@ -19,10 +19,19 @@
 
 #include "avogadrovtkexport.h"
 
+#include <vtkNew.h>
+
 #include <array>
+#include <memory>
 #include <string>
 #include <vector>
 
+class QVTKOpenGLWidget;
+class vtkChartXY;
+class vtkContextView;
+class vtkGenericOpenGLRenderWindow;
+class vtkTable;
+
 namespace Avogadro {
 namespace VTK {
 
@@ -32,15 +41,36 @@ namespace VTK {
 class AVOGADROVTK_EXPORT VtkPlot
 {
 public:
-  // This function can generate multiple lines on the same chart.
-  // data[0] is the x data, and data[i] for i != 0 is the y data for line
-  // i - 1. 'lineLabels' and 'lineColors' should be equal to the number of
-  // lines (data.size() - 1) and ordered in the same way as they are in 'data'.
-  static void generatePlot(const std::vector<std::vector<double>>& data,
-                           const std::vector<std::string>& lineLabels,
-                           const std::vector<std::array<double, 4>>& lineColors,
-                           const char* xTitle, const char* yTitle,
-                           const char* windowName);
+  explicit VtkPlot();
+  ~VtkPlot();
+
+  // data[0] is the x data, and data[i] for i != 0 is the y data for the
+  // line i != 0.
+  void setData(const std::vector<std::vector<double>>& data);
+  void setWindowName(const char* windowName);
+  void setXTitle(const char* xTitle);
+  void setYTitle(const char* yTitle);
+
+  // 'lineLabels' and 'lineColors' should be equal to the number of lines
+  // (data.size() - 1) and ordered in the same way as they are in 'data'.
+  void setLineLabels(const std::vector<std::string>& labels)
+  {
+    m_lineLabels = labels;
+  }
+  void setLineColors(const std::vector<std::array<double, 4>>& colors)
+  {
+    m_lineColors = colors;
+  }
+  void show();
+
+private:
+  std::unique_ptr<QVTKOpenGLWidget> m_widget;
+  vtkNew<vtkTable> m_table;
+  vtkNew<vtkGenericOpenGLRenderWindow> m_renderWindow;
+  vtkNew<vtkContextView> m_view;
+  vtkNew<vtkChartXY> m_chart;
+  std::vector<std::string> m_lineLabels;
+  std::vector<std::array<double, 4>> m_lineColors;
 };
 
 } // namespace VTK