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  • src/Graph/BondGraph.hpp

    r0763ce r42ffb5  
    359359  }
    360360
    361   /** Checks whether the bond degree for each atom on the set matches with its valency.
    362    *
    363    * @param Set Range with atoms
    364    * @return true - bond degrees match valency, false - bond degree correction is needed
    365    */
    366   template <class container_type,
    367             class iterator_type,
    368             class const_iterator_type>
    369   bool checkBondDegree(
    370       AtomSetMixin<container_type,iterator_type,const_iterator_type> &Set) const
    371   {
    372     std::set<atom *> allatoms;
    373     for(iterator_type AtomRunner = Set.begin(); AtomRunner != Set.end(); ++AtomRunner)
    374       allatoms.insert(*AtomRunner);
    375     return checkBondDegree(allatoms);
    376   }
    377 
    378361  /** correct bond degree by comparing valence and bond degree.
    379362   * correct Bond degree of each bond by checking both bond partners for a mismatch between valence and current sum of bond degrees,
     
    489472  }
    490473
    491   bool checkBondDegree(const std::set<atom *> &allatoms) const;
    492 
    493474  /** Calculates the bond degree for each atom on the set.
    494475   *
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