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src/Parser/PdbAtomInfoContainer.hpp
r16462f r4fbca9c 11 11 #include "PdbKey.hpp" 12 12 13 class Vector;14 15 13 #include <string> 16 #include <typeinfo>17 14 18 15 /** … … 25 22 26 23 // getter and setter 27 template <class T> T get(const PdbKey::PdbDataKey key) const { 28 switch (key) { 29 default : 30 std::cout << "Unknown key or not representable as " << typeid(T).name() << ": " << key << std::endl; 31 break; 32 } 33 return (T)NULL; 34 } 24 std::string get(const PdbKey::PdbDataKey key) const; 35 25 void set(const PdbKey::PdbDataKey key, std::string value); 36 26 … … 56 46 57 47 private: 58 std::string token;59 48 int serial; 60 49 std::string name; 61 char alt Loc;50 char altloc; 62 51 std::string resName; 63 52 char chainID; 64 53 int resSeq; 65 54 char iCode; 66 Vector XYZ;67 55 float occupancy; 68 56 float tempFactor; 69 std::string element;70 57 int charge; 71 58 }; 72 59 73 template <>74 std::string PdbAtomInfoContainer::get<std::string>(const PdbKey::PdbDataKey key) const;75 template <>76 int PdbAtomInfoContainer::get<int>(const PdbKey::PdbDataKey key) const;77 template <>78 double PdbAtomInfoContainer::get<double>(const PdbKey::PdbDataKey key) const;79 80 60 #endif /* PDBATOMINFOCONTAINER_HPP_ */
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