Change color of unit cell (feature request #...)

annulen · Feb 27, 2010 · b961b29 · b961b29
1 parent 33198fc
commit b961b29
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Showing 7 changed files with 93 additions and 5 deletions.
diff --git a/libavogadro/src/extensions/unitcellextension.cpp b/libavogadro/src/extensions/unitcellextension.cpp
@@ -29,8 +29,9 @@
 #include <openbabel/mol.h>
 #include <openbabel/generic.h>
 
-#include <QMessageBox>
-#include <QDebug>
+#include <QtGui/QColorDialog>
+#include <QtGui/QMessageBox>
+#include <QtCore/QDebug>
 
 using namespace std;
 using namespace OpenBabel;
@@ -39,7 +40,8 @@ namespace Avogadro {
 
   UnitCellExtension::UnitCellExtension(QObject *parent) : Extension(parent),
                                                           m_widget(NULL),
-                                                          m_molecule(NULL)
+                                                          m_molecule(NULL),
+                                                          m_color(255,255,255)
   {
     QAction *action = new QAction(this);
     action->setText(tr("Unit Cell Parameters..."));
@@ -50,6 +52,8 @@ namespace Avogadro {
             this, SLOT(deleteUnitCell()));
     connect(m_dialog, SIGNAL(fillUnitCell()),
             this, SLOT(fillUnitCell()));
+    connect(m_dialog, SIGNAL(changeColor()),
+            this, SLOT(changeColor()));
   }
 
   UnitCellExtension::~UnitCellExtension()
@@ -94,6 +98,16 @@ namespace Avogadro {
             this, SLOT(unitCellParametersChanged(double, double, double, double, double, double)));
   }
 
+  void UnitCellExtension::writeSettings(QSettings &settings) const
+  {
+    settings.setValue("unitcell/color", m_color);
+  }
+
+  void UnitCellExtension::readSettings(QSettings &settings)
+  {
+    m_color = settings.value("unitcell/color", QColor(Qt::white)).value<QColor>();
+  }
+
   QUndoCommand* UnitCellExtension::performAction(QAction *, GLWidget *widget)
   {
     // FIXME: this is bad mmmkay
@@ -125,6 +139,7 @@ namespace Avogadro {
         m_molecule->setOBUnitCell(uc);
 
         widget->setUnitCells(1, 1, 1);
+        widget->setUnitCellColor(m_color);
       } else { // do nothing -- user picked "Cancel"
         return NULL;
       }
@@ -195,6 +210,18 @@ namespace Avogadro {
     m_widget->clearUnitCell();
   }
 
+  void UnitCellExtension::changeColor()
+  {
+    if (m_widget) {
+      QColor current(m_color);
+      QColor color = QColorDialog::getColor(current, m_dialog, tr("Select Unit Cell Color"));
+      m_widget->setUnitCellColor(color);
+      m_color = color;
+      if (m_molecule)
+        m_molecule->update();
+    }
+  }  
+
   vector3 transformedFractionalCoordinate(vector3 originalCoordinate)
   {
     // ensure the fractional coordinate is entirely within the unit cell

diff --git a/libavogadro/src/extensions/unitcellextension.h b/libavogadro/src/extensions/unitcellextension.h
@@ -26,6 +26,8 @@
 
 #include "unitcellparamdialog.h"
 
+#include <QtGui/QColor>
+
 namespace Avogadro {
 
   class UnitCellExtension : public Extension
@@ -45,6 +47,8 @@ namespace Avogadro {
     QUndoCommand* performAction(QAction *action, GLWidget *widget);
     QString menuPath(QAction *action) const;
     void setMolecule(Molecule *molecule);
+    virtual void writeSettings(QSettings &settings) const;
+    virtual void readSettings(QSettings &settings);
 
   public Q_SLOTS:
     void unitCellDisplayChanged(int a, int b, int c);
@@ -53,12 +57,14 @@ namespace Avogadro {
 
     void deleteUnitCell();
     void fillUnitCell();
+    void changeColor();
 
   private:
     QList<QAction *> m_actions;
     UnitCellParamDialog *m_dialog;
     GLWidget *m_widget;
     Molecule *m_molecule;
+    QColor m_color;
   };
 
   class UnitCellExtensionFactory : public QObject, public PluginFactory

diff --git a/libavogadro/src/extensions/unitcellparamdialog.cpp b/libavogadro/src/extensions/unitcellparamdialog.cpp
@@ -43,6 +43,7 @@ namespace Avogadro {
 
     connect(ui.deleteUnitCell, SIGNAL(clicked()), this, SLOT(deleteCellClicked()));
     connect(ui.fillUnitCell, SIGNAL(clicked()), this, SLOT(fillCellClicked()));
+    connect(ui.changeColor, SIGNAL(clicked()), this, SLOT(changeColorClicked()));
 
     connect(ui.aCellSpinBox, SIGNAL(valueChanged(int)), this, SLOT(valueChanged(int)));    
     connect(ui.bCellSpinBox, SIGNAL(valueChanged(int)), this, SLOT(valueChanged(int)));    
@@ -229,6 +230,11 @@ namespace Avogadro {
   {
     emit fillUnitCell();
   }
+
+  void UnitCellParamDialog::changeColorClicked()
+  {
+    emit changeColor();
+  }
 
 }
 
diff --git a/libavogadro/src/extensions/unitcellparamdialog.h b/libavogadro/src/extensions/unitcellparamdialog.h
@@ -73,6 +73,7 @@ namespace Avogadro
       void buttonClicked(QAbstractButton *button);
       void deleteCellClicked();
       void fillCellClicked();
+      void changeColorClicked();
 
     signals:
       void unitCellDisplayChanged(int a, int b, int c);
@@ -81,6 +82,7 @@ namespace Avogadro
 
       void deleteUnitCell();
       void fillUnitCell();
+      void changeColor();
 
     private:
       Ui::UnitCellParamDialog ui;

diff --git a/libavogadro/src/extensions/unitcellparamdialog.ui b/libavogadro/src/extensions/unitcellparamdialog.ui
@@ -7,7 +7,7 @@
     <x>0</x>
     <y>0</y>
     <width>325</width>
-    <height>374</height>
+    <height>365</height>
    </rect>
   </property>
   <property name="windowTitle">
@@ -94,6 +94,32 @@
        </property>
       </widget>
      </item>
+     <item>
+      <spacer name="horizontalSpacer_3">
+       <property name="orientation">
+        <enum>Qt::Horizontal</enum>
+       </property>
+       <property name="sizeHint" stdset="0">
+        <size>
+         <width>40</width>
+         <height>20</height>
+        </size>
+       </property>
+      </spacer>
+     </item>
+     <item>
+      <widget class="QPushButton" name="changeColor">
+       <property name="sizePolicy">
+        <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+         <horstretch>0</horstretch>
+         <verstretch>0</verstretch>
+        </sizepolicy>
+       </property>
+       <property name="text">
+        <string>Change Color</string>
+       </property>
+      </widget>
+     </item>
     </layout>
    </item>
    <item>

diff --git a/libavogadro/src/glwidget.cpp b/libavogadro/src/glwidget.cpp
@@ -140,6 +140,7 @@ namespace Avogadro {
   public:
     GLWidgetPrivate() : background( 0,0,0,0 ),
                         aCells( 1 ), bCells( 1 ), cCells( 1 ),
+                        cellColor( 255,255,255 ),
                         molecule( 0 ),
                         camera( new Camera ),
                         tool( 0 ),
@@ -197,6 +198,8 @@ namespace Avogadro {
     unsigned char          bCells;
     unsigned char          cCells;
 
+    QColor                 cellColor;
+
     Molecule              *molecule;
 
     Camera                *camera;
@@ -879,7 +882,8 @@ namespace Avogadro {
     v5 = v4 + v1;
 
     glDisable(GL_LIGHTING);
-    glColor4f(1.0, 1.0, 1.0, 0.7);
+    glColor4f(d->cellColor.redF(), d->cellColor.greenF(), d->cellColor.blueF(), 0.7);
+    //glColor4f(1.0, 1.0, 1.0, 0.7);
     glLineWidth(2.0);
     for (int a = 0; a < d->aCells; a++) {
       for (int b = 0; b < d->bCells; b++)  {
@@ -1796,6 +1800,17 @@ namespace Avogadro {
     update();
   }
 
+  void GLWidget::setUnitCellColor(const QColor c)
+  {
+#ifdef ENABLE_THREADED_GL
+    d->renderMutex.lock();
+#endif
+    d->cellColor = c;
+#ifdef ENABLE_THREADED_GL
+    d->renderMutex.unlock();
+#endif
+  }
+
   void GLWidget::clearUnitCell()
   {
     updateGeometry();

diff --git a/libavogadro/src/glwidget.h b/libavogadro/src/glwidget.h
@@ -433,6 +433,12 @@ namespace Avogadro {
        */
       void setUnitCells(int a, int b, int c);
 
+      /**
+       * Set the color of unit cells
+       * @param c color of unit cells
+       */
+       void setUnitCellColor(const QColor c);
+
       /**
        * Clear the unit cell data.
        */