From: Carsten Niehaus <cniehaus@gmx.de>
Date: Mon, 12 Jun 2006 17:02:10 +0000 (+0000)
Subject: This way we can test with real testfiles. Only problem: The path is still hardcoded
X-Git-Tag: v3.80.3~103^2~67
X-Git-Url: https://git.rmz.fi/?a=commitdiff_plain;h=dfa7e1dd22e80c403d9a639bdbdf472cd4f74a29;p=libqmvoc.git

This way we can test with real testfiles. Only problem: The path is still hardcoded

svn path=/trunk/KDE/kdeedu/kalzium/src/kalziumglwidget.cpp; revision=550760
---

diff --git a/kalzium/kalziumglwidget.cpp b/kalzium/kalziumglwidget.cpp
index 9cb8b44..4dee5d7 100644
--- a/kalzium/kalziumglwidget.cpp
+++ b/kalzium/kalziumglwidget.cpp
@@ -15,9 +15,16 @@
 
 #include <kdebug.h>
 
+
 #include <QMouseEvent>
 #include <QListWidget>
 
+#include "openbabel2wrapper.h"
+#include <openbabel/mol.h>
+#include <openbabel/obiter.h>
+
+using namespace OpenBabel;
+
 KalziumGLWidget::KalziumGLWidget( QWidget * parent )
 	: QGLWidget( parent )
 {
@@ -77,13 +84,21 @@ void KalziumGLWidget::initializeGL()
 
 void KalziumGLWidget::paintGL()
 {
+	if ( !m_molecule )
+		return;
+	
 	glClear( GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT );
 	glLoadIdentity();
 	glTranslated( 0.0, 0.0, -12.0);
 	glMultMatrixd( RotationMatrix );
-	drawSphere(1.0, -1.0, -2.0, 1.5, 1.0, 0.0, 0.0);
-	drawSphere(-2.0, 1.0, 1.0, 2.5, 0.0, 1.0, 0.0);
-	drawSphere(2.0, 0.5, 0.0, 1.0, 0.0, 0.0, 1.0);
+
+	FOR_ATOMS_OF_MOL( a, m_molecule )
+	{
+		GLdouble x = ( GLdouble )a->GetX();
+		GLdouble y = ( GLdouble )a->GetY();
+		GLdouble z = ( GLdouble )a->GetZ();
+		drawSphere(x,y,z,1.0, 1.0, 0.0, 0.0);
+	}
 }
 
 void KalziumGLWidget::resizeGL( int width, int height )