New Kalzium 3d navigation system. Not 100% finished, and the visual

effects aren't there yet, but the idea is there.

You need to svn up eigen. Should we modify Kalzium's CMakeLists to
say that Eigen 1.0.1 isn't enough anymore ?

svn path=/trunk/KDE/kdeedu/libkdeedu/; revision=623406

diff --git a/libscience/compoundviewer/kalziumglhelperclasses.h b/libscience/compoundviewer/kalziumglhelperclasses.h
index f736fbb45490cf51ccb2c4530feacad85a9f907d..e6848a25e1b498a75dd59e555f6c0604f8923878 100644 (file)
--- a/libscience/compoundviewer/kalziumglhelperclasses.h
+++ b/libscience/compoundviewer/kalziumglhelperclasses.h
@@ -14,7 +14,6 @@
 #ifndef KALZIUMGLHELPERCLASSES_H
 #define KALZIUMGLHELPERCLASSES_H
 
-#include <eigen/matrix.h>
 #include <QGLWidget>
 #include <GL/glu.h>
 #include <QPainter>
@@ -26,11 +25,13 @@
 #include <openbabel/mol.h>
 #include <openbabel/obiter.h>
 
+#include <eigen/projective.h>
+
 /** USE_FPS_COUNTER: if defined, the GL Widget will show a frames-per-second
  * counter. Use only for testing: this makes the GL Widget constantly
  * redraw, which under normal circumstances is a waste of CPU time.
  */
-#define USE_FPS_COUNTER
+//#define USE_FPS_COUNTER
 
 /** USE_DISPLAY_LISTS: if defined, the whole scene will be stored in
  * an OpenGL display list. The vertex arrays will then be converted into
@@ -40,6 +41,9 @@
  */
 #define USE_DISPLAY_LISTS
 
+#define ROTATION_SPEED     0.01
+#define TRANSLATION_SPEED  0.01
+
 namespace KalziumGLHelpers
 {
 

diff --git a/libscience/compoundviewer/kalziumglwidget.cpp b/libscience/compoundviewer/kalziumglwidget.cpp
index 9d7b59d1e0832166b124cdd51884e242977b34dc..1fe85db62b39a42f7d41cd4fbcd88058835c1d25 100644 (file)
--- a/libscience/compoundviewer/kalziumglwidget.cpp
+++ b/libscience/compoundviewer/kalziumglwidget.cpp
@@ -33,8 +33,7 @@ using namespace Eigen;
 KalziumGLWidget::KalziumGLWidget( QWidget * parent )
        : QGLWidget( parent )
 {
-       m_isLeftButtonPressed = false;
-       m_movedSinceLeftButtonPressed = false;
+       m_movedSinceButtonPressed = false;
        m_clickedAtom = 0;
        m_molecule = 0;
        m_detail = 0;
@@ -49,6 +48,7 @@ KalziumGLWidget::KalziumGLWidget( QWidget * parent )
        m_textRenderer.setup( this, f );
        
        setMinimumSize( 100,100 );
+       setContextMenuPolicy( Qt::PreventContextMenu );
        setMolStyle( 0 );
 }
 
@@ -64,7 +64,7 @@ void KalziumGLWidget::initializeGL()
        glDepthFunc( GL_LEQUAL );
        glEnable( GL_CULL_FACE );
 
-       m_rotationMatrix.loadIdentity();
+       m_cameraMatrix.loadIdentity();
 
        glEnable( GL_NORMALIZE );
        glEnable( GL_LIGHTING );
@@ -153,7 +153,7 @@ void KalziumGLWidget::renderScene( GLenum renderMode,
                        3, 3, viewport);
        }
        gluPerspective( 40.0, float( width() ) / height(),
-               getMolRadius(), 5.0 * getMolRadius() );
+               getMolRadius() / 12.0, getMolRadius() * 6.0 );
        glMatrixMode( GL_MODELVIEW );
 
        // clear the buffers when in GL_RENDER mode
@@ -161,9 +161,7 @@ void KalziumGLWidget::renderScene( GLenum renderMode,
                glClear( GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT );
 
        // set up the camera
-       glLoadIdentity();
-       glTranslated ( 0.0, 0.0, -3.0 * getMolRadius() );
-       glMultMatrixd ( m_rotationMatrix.array() );
+       glLoadMatrixd ( m_cameraMatrix.array() );
 
        // set up fog
        if( m_useFog && renderMode == GL_RENDER )
@@ -315,56 +313,111 @@ void KalziumGLWidget::resizeGL( int width, int height )
 
 void KalziumGLWidget::mousePressEvent( QMouseEvent * event )
 {
-       if( event->buttons() & Qt::LeftButton )
-       {       
-               m_isLeftButtonPressed = true;
-               m_movedSinceLeftButtonPressed = false;
-               m_lastDraggingPosition = event->pos ();
-               m_initialDraggingPosition = event->pos ();
-               computeClickedAtom( event->pos () );
-               updateGL();
-       }
+       m_movedSinceButtonPressed = false;
+       m_lastDraggingPosition = event->pos ();
+       m_initialDraggingPosition = event->pos ();
+       computeClickedAtom( event->pos () );
+       updateGL();
 }
 
 void KalziumGLWidget::mouseReleaseEvent( QMouseEvent * event )
 {
-       if( !( event->buttons() & Qt::LeftButton ) )
+       (void) event;
+       if( m_clickedAtom && ! m_movedSinceButtonPressed )
        {
-               m_isLeftButtonPressed = false;
-
-               if( m_clickedAtom && ! m_movedSinceLeftButtonPressed )
+               if( m_selectedAtoms.contains( m_clickedAtom ) )
                {
-                       if( m_selectedAtoms.contains( m_clickedAtom ) )
-                       {
-                               m_selectedAtoms.removeAll(
-                                       m_clickedAtom );
-                       }
-                       else m_selectedAtoms.append( m_clickedAtom );
+                       m_selectedAtoms.removeAll(
+                               m_clickedAtom );
                }
-               m_clickedAtom = 0;
-               updateGL();
+               else m_selectedAtoms.append( m_clickedAtom );
        }
+       m_clickedAtom = 0;
+       updateGL();
 }
-
-void KalziumGLWidget::mouseMoveEvent( QMouseEvent * event )
+#include<iostream>
+void KalziumGLWidget::mouseMoveEvent( QMouseEvent *event )
 {
-       if( m_isLeftButtonPressed )
+       QPoint delta = event->pos() - m_lastDraggingPosition;
+       m_lastDraggingPosition = event->pos();
+       Vector3d clickedAtomCenter;
+       Matrix3d cameraRotation;
+
+       if( event->buttons() & ( Qt::LeftButton | Qt::RightButton ) )
        {
-               QPoint deltaDragging = event->pos() - m_lastDraggingPosition;
-               m_lastDraggingPosition = event->pos();
+               if( m_clickedAtom )
+                       clickedAtomCenter = Vector3d(
+                               m_clickedAtom->GetVector().AsArray() );
                if( ( event->pos()
-                       - m_initialDraggingPosition ).manhattanLength() > 2 )
-                       m_movedSinceLeftButtonPressed = true;
-
-               glPushMatrix();
-               glLoadIdentity();
-               glRotated( deltaDragging.x(), 0.0, 1.0, 0.0 );
-               glRotated( deltaDragging.y(), 1.0, 0.0, 0.0 );
-               glMultMatrixd( m_rotationMatrix.array() );
-               glGetDoublev( GL_MODELVIEW_MATRIX, m_rotationMatrix.array() );
-               glPopMatrix();
-               updateGL();
+                   - m_initialDraggingPosition ).manhattanLength() > 2 )
+                       m_movedSinceButtonPressed = true;
+               m_cameraMatrix.getLinearComponent( & cameraRotation );
+       }
+
+       if( event->buttons() & Qt::LeftButton )
+       {
+               // we're dragging with the left mouse button pressed.
+               // that means we want to rotate. If an atom is being clicked,
+               // then we want to rotate the molecule around that atom.
+               // Otherwise, we want rotate the molecule around
+               // its own center, which is at the origin since we have
+               // already centered it.
+
+               // note that here we're multiplying by rotations on the right,
+               // because we want to rotate the camera around the molecule,
+               // not around the camera itself.
+
+               if( m_clickedAtom )
+                       m_cameraMatrix.translate( clickedAtomCenter );
+               m_cameraMatrix.rotate3( delta.x() * ROTATION_SPEED,
+                                       cameraRotation.row(1) );
+               m_cameraMatrix.rotate3( delta.y() * ROTATION_SPEED,
+                                       cameraRotation.row(0) );
+               if( m_clickedAtom )
+                       m_cameraMatrix.translate( - clickedAtomCenter );
+       }
+       if( event->buttons() & Qt::RightButton )
+       {
+               if( m_clickedAtom )
+               {
+                       m_cameraMatrix.translate( clickedAtomCenter );
+                       m_cameraMatrix.rotate3( delta.x() * ROTATION_SPEED,
+                                               cameraRotation.row(2) );
+                       m_cameraMatrix.translate( - clickedAtomCenter );
+
+                       Vector3d transformedClickedAtomCenter = m_cameraMatrix * clickedAtomCenter;
+                       double t = exp( - TRANSLATION_SPEED * delta.y() );
+                       if( t > 1.25 ) t = 1.25;
+                       if( t < 0.8 ) t = 0.8;
+                       double n = t * transformedClickedAtomCenter.norm();
+                       double a = 10.0 * m_molStyle.getAtomRadius( m_clickedAtom );
+                       if( n < a && t > 1.0) t = 1.0;
+                       Vector3d diff = transformedClickedAtomCenter * (1.0 - t );
+                       m_cameraMatrix.pretranslate( diff );
+               }
+               else
+               {
+                       m_cameraMatrix.rotate3( delta.x() * ROTATION_SPEED,
+                                               cameraRotation.row(2) );
+
+                       Vector3d transformedCenter = m_cameraMatrix.translationVector();
+                       double t = exp( - TRANSLATION_SPEED * delta.y() );
+                       if( t > 1.25 ) t = 1.25;
+                       if( t < 0.8 ) t = 0.8;
+                       Vector3d diff = transformedCenter * (1.0 - t );
+                       m_cameraMatrix.pretranslate( diff );
+               }
        }
+       if( event->buttons() & ( Qt::LeftButton | Qt::RightButton ) )
+               update();
+}
+
+void KalziumGLWidget::wheelEvent( QWheelEvent *event )
+{
+
+       m_cameraMatrix.pretranslate( event->delta()
+                                    * TRANSLATION_SPEED * Vector3d(0,0,1) );
+       update();
 }
 
 void KalziumGLWidget::rotate( )
@@ -498,7 +551,6 @@ void KalziumGLWidget::slotSetMolecule( OpenBabel::OBMol* molecule )
        if ( !molecule ) return;
        m_molecule = molecule;
        m_haveToRecompileDisplayList = true;
-       m_rotationMatrix.loadIdentity();
        m_selectedAtoms.clear();
        m_clickedAtom = 0;
        prepareMoleculeData();
@@ -593,6 +645,13 @@ void KalziumGLWidget::prepareMoleculeData()
                              atomCenter.y(),
                              atomCenter.z() );
        }
+
+       // set up the camera matrix so that the initial point of view
+       // is convenient. This is easy because we have already rotated
+       // the molecule to orient it approximately in the xy-plane.
+
+       m_cameraMatrix.loadTranslation(
+                          Vector3d( 0, 0, -3.0 * getMolRadius() ) );
 }
 
 double KalziumGLWidget::getMolRadius()

diff --git a/libscience/compoundviewer/kalziumglwidget.h b/libscience/compoundviewer/kalziumglwidget.h
index 39c54d9c9c3965698b8fa4082ded8317a720d8ff..9220ba46880c5c1fb4af51711b63075c651a3fb9 100644 (file)
--- a/libscience/compoundviewer/kalziumglwidget.h
+++ b/libscience/compoundviewer/kalziumglwidget.h
@@ -19,6 +19,7 @@
 #include "kalziumglhelperclasses.h"
 
 #include <QGLWidget>
+#include <QtGui/QWheelEvent>
 #include <QList>
 #include <QFont>
 
@@ -48,14 +49,8 @@ class COMPOUNDVIEWER_EXPORT KalziumGLWidget : public QGLWidget
                 * The geometric model of the cylinder (used for bonds).
                 */
                Cylinder m_cylinder;
-               
-               /**
-                * equals true if the user is currently dragging (rotating)
-                * the view
-                */
-               bool m_isLeftButtonPressed;
 
-               bool m_movedSinceLeftButtonPressed;
+               bool m_movedSinceButtonPressed;
 
                QPoint m_lastDraggingPosition;
                QPoint m_initialDraggingPosition;
@@ -63,9 +58,9 @@ class COMPOUNDVIEWER_EXPORT KalziumGLWidget : public QGLWidget
                OpenBabel::OBAtom *m_clickedAtom;
 
                /**
-                * Stores the rotation that is applied to the model.
+                * Stores the camera position and orientation.
                 */
-               Eigen::Matrix4d m_rotationMatrix;
+               Eigen::MatrixP3d m_cameraMatrix;
 
                /**
                 * The molecule which is displayed
@@ -211,6 +206,7 @@ class COMPOUNDVIEWER_EXPORT KalziumGLWidget : public QGLWidget
                void mousePressEvent( QMouseEvent * event );
                void mouseReleaseEvent( QMouseEvent * event );
                void mouseMoveEvent( QMouseEvent * event );
+               void wheelEvent( QWheelEvent * event );
 
                /**
                 * This method is called by slotSetMolecule. It prepares the