Changes in src/UIElements/Views/Qt4/QtInfoBox.cpp [2b596f:5dcb3c]

File:

• src/UIElements/Views/Qt4/QtInfoBox.cpp (modified) (3 diffs)

src/UIElements/Views/Qt4/QtInfoBox.cpp ¶

@@ -57 +57 @@
 
   setMinimumWidth(200);
-  setMinimumHeight(200);
+  setMinimumHeight(220);
   currentPage = 0;
 
@@ -178 +178 @@
   addInfo(this, "Mass", QString("%1").arg(atomRef->getMass()));
   addInfo(this, "Charge", QString("%1").arg(atomRef->getCharge()));
-  addInfo(this, "Position", QString(toString(atomRef->getPosition()).c_str()));
   addInfo(this, "Bonds", QString("%1").arg(atomRef->getListOfBonds().size()));
+  addInfo(this, "Position x", QString(toString(atomRef->getPosition()[0]).c_str()));
+  addInfo(this, "Position y", QString(toString(atomRef->getPosition()[1]).c_str()));
+  addInfo(this, "Position z", QString(toString(atomRef->getPosition()[2]).c_str()));
 }
 
@@ -218 +220 @@
   addInfo(this, "Formula", QString(mol->getFormula().toString().c_str()));
   addInfo(this, "Atoms", QString("%1").arg(mol->getAtomCount()));
+  addInfo(this, "NonHydrogens", QString("%1").arg(mol->getNoNonHydrogen()));
   addInfo(this, "Bonds", QString("%1").arg(mol->getBondCount()));
+  const Vector molCenter = mol->DetermineCenterOfAll();
+  addInfo(this, "Center x", QString("%1").arg(molCenter[0]));
+  addInfo(this, "Center y", QString("%1").arg(molCenter[1]));
+  addInfo(this, "Center z", QString("%1").arg(molCenter[2]));
 }