message: Add support for selecting individual atoms in a group.
diff: @@ -98,7 +98,7 @@ SymmetryWidget::SymmetryWidget(QWidget* parent_)
  SIGNAL(symmetrizeMolecule()));
  connect(
  - m_ui->subgroupsTree->selectionModel(),
  + m_ui->equivalenceTree->selectionModel(),
  SIGNAL(selectionChanged(const QItemSelection&, const QItemSelection&)),
  SLOT(
  equivalenceSelectionChanged(const QItemSelection&, const QItemSelection&)));
  @@ -288,15 +288,24 @@ void SymmetryWidget::equivalenceSelectionChanged(const QItemSelection& selected,
  unsigned int length = m_molecule->atomCount();
  for (Index i = 0; i < length; ++i) {
  + qDebug() << "checking atom" << i << " for " << a->n;
  + m_molecule->setAtomSelected(i, false);
  if (m_molecule->atomicNumbers()[i] != a->n)
  continue;
  Vector3 ipos = m_molecule->atomPositions3d()[i];
  - if (a->v[0] == ipos[0]
  - && a->v[1] == ipos[1]
  - && a->v[2] == ipos[2])
  + qDebug() << a->v[0] << ipos[0] - m_cm[0];
  + qDebug() << a->v[1] << ipos[1] - m_cm[1];
  + qDebug() << a->v[2] << ipos[2] - m_cm[2];
  + if ( fabs(a->v[0] - (ipos[0] - m_cm[0])) < 0.05
  + && fabs(a->v[0] - (ipos[0] - m_cm[0])) < 0.05
  + && fabs(a->v[0] - (ipos[0] - m_cm[0])) < 0.05
  + ) {
  m_molecule->setAtomSelected(i, true);
  + qDebug() << " got one!";
  + }
  }
  + m_molecule->emitChanged(QtGui::Molecule::Atoms);
  }
  void SymmetryWidget::setRadius(double radius)
  