Changes in src/molecule.hpp [274d45:6cfa36]
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src/molecule.hpp
r274d45 r6cfa36 93 93 94 94 public: 95 typedef std::list<atom*> atomSet; 96 typedef std::set<atomId_t> atomIdSet; 95 typedef std::set<atom*> atomSet; 97 96 typedef ObservedIterator<atomSet> iterator; 98 97 typedef atomSet::const_iterator const_iterator; … … 122 121 Cacheable<int> AtomCount; 123 122 moleculeId_t id; 124 atomSet atoms; //<!list of atoms 125 atomIdSet atomIds; //<!set of atomic ids to check uniqueness of atoms 123 atomSet atoms; //<!set of atoms 126 124 protected: 127 125 //void CountAtoms();
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