Changes in src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp [b9b49e:52cd7b]

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) (2 diffs)

src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp

@@ -71 +71 @@
   double minradius = 2.; // TODO: set to maximum bond length value
   LOG(3, "DEBUG: Molecule fits into sphere of radius " << minradius);
-  // check minimum bond radius in molecule
-  double minlength = std::numeric_limits<double>::max(); 
-  for (molecule::const_iterator iter = molref->begin();
-      iter != molref->end(); ++iter) {
-    const BondList &ListOfBonds = (*iter)->getListOfBonds();
-    for (BondList::const_iterator bonditer = ListOfBonds.begin();
-         bonditer != ListOfBonds.end(); ++bonditer) {
-      const double bond_distance = (*bonditer)->GetDistance();
-      minlength = std::min(bond_distance, minlength);
-    }
-  }
-  minradius = std::max( std::max(minradius, minlength), 1.);
+  if (minradius < 1.)
+    minradius = 1.;
 
   QGeometryData geo;
@@ -467 +457 @@
     painter->modelViewMatrix().push();
     painter->modelViewMatrix().translate(m_position);
+    if ((m_scaleX != 1.0f) || (m_scaleY != 1.0f) || (m_scaleZ != 1.0f))
+      painter->modelViewMatrix().scale(m_scaleX, m_scaleY, m_scaleZ);
     if (m_rotationAngle != 0.0f)
       painter->modelViewMatrix().rotate(m_rotationAngle, m_rotationVector);
-    if ((m_scaleX != 1.0f) || (m_scaleY != 1.0f) || (m_scaleZ != 1.0f))
-      painter->modelViewMatrix().scale(m_scaleX, m_scaleY, m_scaleZ);
 
     // Draw a box around the mesh, if selected.