From 8e5e462ccf430f54ed64b0825b0360526f112f0a Mon Sep 17 00:00:00 2001
From: Carsten Niehaus <cniehaus@gmx.de>
Date: Sat, 17 Jun 2006 07:21:41 +0000
Subject: [PATCH] * Many UI-Changes

svn path=/trunk/KDE/kdeedu/kalzium/src/kalziumglwidget.h; revision=552247
---
 kalzium/kalziumglwidget.h     |  7 +++++++
 kalzium/openbabel2wrapper.cpp | 12 ++++++++++++
 kalzium/openbabel2wrapper.h   |  4 ++++
 3 files changed, 23 insertions(+)

diff --git a/kalzium/kalziumglwidget.h b/kalzium/kalziumglwidget.h
index 2e775f8..d301654 100644
--- a/kalzium/kalziumglwidget.h
+++ b/kalzium/kalziumglwidget.h
@@ -118,6 +118,13 @@ class KalziumGLWidget : public QGLWidget
 
 		virtual void getColor( OpenBabel::OBAtom &a, GLfloat &r, GLfloat &g, GLfloat &b );
 
+		/**
+		 * @return the current molecule
+		 */
+		OpenBabel::OBMol* molecule(){
+			return m_molecule;
+		}
+
 	public slots:
 		/**
 		 * sets the molecule which will be displayed
diff --git a/kalzium/openbabel2wrapper.cpp b/kalzium/openbabel2wrapper.cpp
index b0cb071..a273fcc 100644
--- a/kalzium/openbabel2wrapper.cpp
+++ b/kalzium/openbabel2wrapper.cpp
@@ -55,3 +55,15 @@ OpenBabel::OBMol* OpenBabel2Wrapper::readMolecule( const QString& filename )
 
 	return mol;
 }
+
+QString OpenBabel2Wrapper::getFormula( OpenBabel::OBMol* molecule )
+{
+	QString formula( molecule->GetFormula().c_str() );
+	return formula;
+}
+		
+QString OpenBabel2Wrapper::getPrettyFormula( OpenBabel::OBMol* molecule )
+{
+	QString formula( molecule->GetFormula().c_str() );
+	return formula;
+}
diff --git a/kalzium/openbabel2wrapper.h b/kalzium/openbabel2wrapper.h
index 06b108c..8f46ddd 100644
--- a/kalzium/openbabel2wrapper.h
+++ b/kalzium/openbabel2wrapper.h
@@ -31,6 +31,10 @@ class OpenBabel2Wrapper
 		 * the file couldn't be read.
 		 */
 		static OpenBabel::OBMol* readMolecule( const QString& filename );
+		
+		static QString getFormula( OpenBabel::OBMol* molecule );
+		
+		static QString getPrettyFormula( OpenBabel::OBMol* molecule );
 };
 
 #endif // OPENBABEL2WRAPPER_H
-- 
2.47.3