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/* |
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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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namespace oopse { |
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struct AtomInfo { |
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struct AtomInfo { |
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std::string atomTypeName; |
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Vector3d pos; |
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Vector3d dipole; |
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}; |
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}; |
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class AtomData : public GenericData{ |
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public: |
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class AtomData : public GenericData{ |
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public: |
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AtomData(const std::string& id = "ATOMDATA") : GenericData(id) {} |
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AtomData(const std::string& id = "ATOMDATA") : GenericData(id) {} |
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~AtomData() { |
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std::vector<AtomInfo*>::iterator i; |
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AtomInfo* atomInfo; |
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~AtomData() { |
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std::vector<AtomInfo*>::iterator i; |
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AtomInfo* atomInfo; |
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for(atomInfo = beginAtomInfo(i); atomInfo; atomInfo = nextAtomInfo(i)) { |
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delete atomInfo; |
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} |
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data.clear(); |
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} |
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for(atomInfo = beginAtomInfo(i); atomInfo; atomInfo = nextAtomInfo(i)) { |
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delete atomInfo; |
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} |
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data.clear(); |
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} |
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void addAtomInfo(AtomInfo* info) {data.push_back(info);} |
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void addAtomInfo(AtomInfo* info) {data.push_back(info);} |
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void clearAllAtomInfo(); |
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void clearAllAtomInfo(); |
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AtomInfo* beginAtomInfo(std::vector<AtomInfo*>::iterator& i){ |
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i = data.begin(); |
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return i != data.end()? *i : NULL; |
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} |
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AtomInfo* beginAtomInfo(std::vector<AtomInfo*>::iterator& i){ |
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i = data.begin(); |
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return i != data.end()? *i : NULL; |
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} |
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AtomInfo* nextAtomInfo(std::vector<AtomInfo*>::iterator& i){ |
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++i; |
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return i != data.end()? *i: NULL; |
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} |
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AtomInfo* nextAtomInfo(std::vector<AtomInfo*>::iterator& i){ |
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++i; |
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return i != data.end()? *i: NULL; |
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} |
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std::vector<AtomInfo*> getData() {return data;} |
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std::vector<AtomInfo*> getData() {return data;} |
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int getSize() {return data.size();} |
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int getSize() {return data.size();} |
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protected: |
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protected: |
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std::vector<AtomInfo*> data; |
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}; |
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std::vector<AtomInfo*> data; |
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}; |
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} |