Make the atom-selection cooler and fix the low/high setting (was mixed up)

svn path=/trunk/KDE/kdeedu/kalzium/src/kalziumglwidget.h; revision=552557

diff --git a/kalzium/kalziumglwidget.cpp b/kalzium/kalziumglwidget.cpp
index bf0841b09cfb2ca384d33ab6575706ec44aeaade..f5c63cdfbe2eb1bae3feecdb6880b67d2f733cc8 100644 (file)
--- a/kalzium/kalziumglwidget.cpp
+++ b/kalzium/kalziumglwidget.cpp
@@ -82,6 +82,8 @@ void KalziumGLWidget::initializeGL()
        glFogf( GL_FOG_START, 2.7 * m_molRadius );
        glFogf( GL_FOG_END, 5.0 * m_molRadius );
 
+       glBlendFunc( GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA );
+
        glEnable( GL_COLOR_SUM_EXT );
        glLightModeli( GL_LIGHT_MODEL_COLOR_CONTROL_EXT,
                GL_SEPARATE_SPECULAR_COLOR_EXT );
@@ -125,9 +127,9 @@ void KalziumGLWidget::paintGL()
 
                FOR_ATOMS_OF_MOL( a, m_molecule )
                {
-                       FLOAT x = (FLOAT) a->GetX();
-                       FLOAT y = (FLOAT) a->GetY();
-                       FLOAT z = (FLOAT) a->GetZ();
+                       GLFLOAT x = (GLFLOAT) a->GetX();
+                       GLFLOAT y = (GLFLOAT) a->GetY();
+                       GLFLOAT z = (GLFLOAT) a->GetZ();
                
                        GLColor c = getAtomColor( &*a );
                
@@ -157,16 +159,22 @@ void KalziumGLWidget::paintGL()
        // render the bonds
        if( BOND_DISABLED != m_bondStyle) FOR_BONDS_OF_MOL( bond, m_molecule )
        {
-               FLOAT x1 = (FLOAT) static_cast<OBAtom*>(bond->GetBgn())->GetX();
-               FLOAT y1 = (FLOAT) static_cast<OBAtom*>(bond->GetBgn())->GetY();
-               FLOAT z1 = (FLOAT) static_cast<OBAtom*>(bond->GetBgn())->GetZ();
-               FLOAT x2 = (FLOAT) static_cast<OBAtom*>(bond->GetEnd())->GetX();
-               FLOAT y2 = (FLOAT) static_cast<OBAtom*>(bond->GetEnd())->GetY();
-               FLOAT z2 = (FLOAT) static_cast<OBAtom*>(bond->GetEnd())->GetZ();
+               GLFLOAT x1 = (GLFLOAT)
+                       static_cast<OBAtom*>(bond->GetBgn())->GetX();
+               GLFLOAT y1 = (GLFLOAT)
+                       static_cast<OBAtom*>(bond->GetBgn())->GetY();
+               GLFLOAT z1 = (GLFLOAT)
+                       static_cast<OBAtom*>(bond->GetBgn())->GetZ();
+               GLFLOAT x2 = (GLFLOAT)
+                       static_cast<OBAtom*>(bond->GetEnd())->GetX();
+               GLFLOAT y2 = (GLFLOAT)
+                       static_cast<OBAtom*>(bond->GetEnd())->GetY();
+               GLFLOAT z2 = (GLFLOAT)
+                       static_cast<OBAtom*>(bond->GetEnd())->GetZ();
                
-               FLOAT x3 = (x1 + x2) / 2;
-               FLOAT y3 = (y1 + y2) / 2;
-               FLOAT z3 = (z1 + z2) / 2;
+               GLFLOAT x3 = (x1 + x2) / 2;
+               GLFLOAT y3 = (y1 + y2) / 2;
+               GLFLOAT z3 = (z1 + z2) / 2;
                
                GLColor c1, c2;
                c1 = getAtomColor( static_cast<OBAtom*>(bond->GetBgn()) );
@@ -198,6 +206,34 @@ void KalziumGLWidget::paintGL()
                        case BOND_DISABLED: break;
                }
        }
+
+       // now, paint a semitransparent sphere around the selected atom
+
+       if( m_selectedAtom )
+       {
+               GLFLOAT x = (GLFLOAT) m_selectedAtom->GetX();
+               GLFLOAT y = (GLFLOAT) m_selectedAtom->GetY();
+               GLFLOAT z = (GLFLOAT) m_selectedAtom->GetZ();
+
+               GLColor c( 0.4, 0.4, 1.0, 0.7 );
+
+               GLFLOAT radius = m_molMinBondLength * 0.5;
+               GLFLOAT min_radius = (GLFLOAT) atomRadius () * 1.2;
+               if( radius < min_radius ) radius = min_radius;
+
+               glEnable( GL_BLEND );
+               glEnable( GL_NORMALIZE );
+               glEnable( GL_LIGHTING );
+
+               drawSphere(
+                       x, y, z,
+                       radius,
+                       c);
+
+               glDisable( GL_NORMALIZE );
+               glDisable( GL_BLEND );
+
+       }
 }
 
 void KalziumGLWidget::resizeGL( int width, int height )
@@ -381,12 +417,12 @@ void KalziumGLWidget::drawBond( FLOAT x1, FLOAT y1, FLOAT z1,
 }
 
 
-inline float KalziumGLWidget::bondRadius()
+inline GLFLOAT KalziumGLWidget::bondRadius()
 {
        return m_bondRadiusCoeff * m_molMinBondLength;
        
 }
-inline float KalziumGLWidget::atomRadius()
+inline GLFLOAT KalziumGLWidget::atomRadius()
 {
        return m_atomRadiusCoeff * m_molMinBondLength;
 }
@@ -563,11 +599,13 @@ GLColor::GLColor()
 {
 }
 
-GLColor::GLColor(GLfloat red, GLfloat green, GLfloat blue)
+GLColor::GLColor( GLfloat red, GLfloat green, GLfloat blue,
+                  GLfloat alpha )
 {
        m_red = red;
        m_green = green;
        m_blue = blue;
+       m_alpha = alpha;
 }
 
 GLColor& GLColor::operator=( const GLColor& other )
@@ -575,6 +613,7 @@ GLColor& GLColor::operator=( const GLColor& other )
        m_red = other.m_red;
        m_green = other.m_green;
        m_blue = other.m_blue;
+       m_alpha = other.m_alpha;
 
        return *this;
 }
@@ -620,18 +659,10 @@ GLColor& KalziumGLWidget::getAtomColor( OpenBabel::OBAtom* atom )
                c.m_blue = 0.5;
        }
 
-       if ( atom == m_selectedAtom )
-       {
-               const GLfloat coeff = 1.5;
-               c.m_blue = (c.m_blue + coeff) / (coeff + 1);
-               c.m_red /= (coeff + 1);
-               c.m_green /= (coeff + 1);
-               c.clamp();
-       }
-
        return c;
 }
 
+
 void KalziumGLWidget::slotAtomSelected( OpenBabel::OBAtom* atom )
 {
        if ( !atom ) return;
@@ -639,27 +670,19 @@ void KalziumGLWidget::slotAtomSelected( OpenBabel::OBAtom* atom )
        updateGL();
 }
 
-void GLColor::clamp()
-{
-       if(m_red <= 0.0) m_red = 0.0;
-       if(m_red >= 1.0) m_red = 1.0;
-       if(m_green <= 0.0) m_green = 0.0;
-       if(m_green >= 1.0) m_green = 1.0;
-       if(m_blue <= 0.0) m_blue = 0.0;
-       if(m_blue >= 1.0) m_blue = 1.0;
-}
-
 inline void GLColor::apply()
 {
-       glColor3fv( reinterpret_cast<GLfloat *>( this ) );
+       glColor4fv( reinterpret_cast<GLfloat *>( this ) );
 }
 
 void GLColor::applyAsMaterials()
 {
-       GLfloat ambientColor [] = { m_red / 2, m_green / 2, m_blue / 2, 1.0 };
-       GLfloat diffuseColor [] = { m_red, m_green, m_blue, 1.0 };
+       GLfloat ambientColor [] = { m_red / 2, m_green / 2, m_blue / 2,
+                                   m_alpha };
+       GLfloat diffuseColor [] = { m_red, m_green, m_blue, m_alpha };
        GLfloat specularColor [] = { (2.0 + m_red) / 3, (2.0 + m_green) / 3,
-               (2.0 + m_blue) / 3, 1.0 };
+               (2.0 + m_blue) / 3, m_alpha };
+
        glMaterialfv(GL_FRONT, GL_AMBIENT, ambientColor);
        glMaterialfv(GL_FRONT, GL_DIFFUSE, diffuseColor);
        glMaterialfv(GL_FRONT, GL_SPECULAR, specularColor);

diff --git a/kalzium/kalziumglwidget.h b/kalzium/kalziumglwidget.h
index d8e30293abdbdc74d114b4d250a8dc7e6baa1649..fec571186ca45474ed50b8683a596143403e6d4d 100644 (file)
--- a/kalzium/kalziumglwidget.h
+++ b/kalzium/kalziumglwidget.h
@@ -68,9 +68,9 @@ class KalziumGLWidget : public QGLWidget
                 * The molecule which is displayed
                 */
                OpenBabel::OBMol* m_molecule;
-               FLOAT m_molRadius;
-               FLOAT m_molMinBondLength;
-               FLOAT m_molMaxBondLength;
+               GLFLOAT m_molRadius;
+               GLFLOAT m_molMinBondLength;
+               GLFLOAT m_molMaxBondLength;
 
                /**
                 * The coefficient set by the user, determining the
@@ -279,8 +279,8 @@ class KalziumGLWidget : public QGLWidget
                        GLFLOAT x2, GLFLOAT y2, GLFLOAT z2,
                        GLColor &color );
 
-               inline float bondRadius();
-               inline float atomRadius();
+               inline GLFLOAT bondRadius();
+               inline GLFLOAT atomRadius();
 
                /**
                 * Chooses the style of rendering among some presets
@@ -303,18 +303,17 @@ class KalziumGLWidget : public QGLWidget
  */
 struct GLColor
 {
-       GLfloat m_red, m_green, m_blue;
+       GLfloat m_red, m_green, m_blue, m_alpha;
 
        GLColor();
-       GLColor(GLfloat red, GLfloat green, GLfloat blue);
+       GLColor( GLfloat red, GLfloat green, GLfloat blue,
+                GLfloat alpha = 1.0 );
 
        GLColor& operator=( const GLColor& other );
 
-       void clamp();
-
        /**
         * Sets this color to be the one used by OpenGL for rendering
-        * when lighting is disabled. It just calls glColor3fv.
+        * when lighting is disabled. It just calls glColor4fv.
         */
        inline void apply();