Changes in src/Parser/PdbAtomInfoContainer.hpp [4fbca9c:16462f]

File:

• src/Parser/PdbAtomInfoContainer.hpp (modified) (3 diffs)

src/Parser/PdbAtomInfoContainer.hpp

@@ -11 +11 @@
 #include "PdbKey.hpp"
 
+class Vector;
+
 #include <string>
+#include <typeinfo>
 
 /**
@@ -22 +25 @@
 
   // getter and setter
-  std::string get(const PdbKey::PdbDataKey key) const;
+  template <class T> T get(const PdbKey::PdbDataKey key) const  {
+    switch (key) {
+      default :
+        std::cout << "Unknown key or not representable as " << typeid(T).name() << ": " << key << std::endl;
+        break;
+    }
+    return (T)NULL;
+  }
   void set(const PdbKey::PdbDataKey key, std::string value);
 
@@ -46 +56 @@
 
 private:
+  std::string token;
   int serial;
   std::string name;
-  char altloc;
+  char altLoc;
   std::string resName;
   char chainID;
   int resSeq;
   char iCode;
+  Vector XYZ;
   float occupancy;
   float tempFactor;
+  std::string element;
   int charge;
 };
 
+template <>
+std::string PdbAtomInfoContainer::get<std::string>(const PdbKey::PdbDataKey key) const;
+template <>
+int PdbAtomInfoContainer::get<int>(const PdbKey::PdbDataKey key) const;
+template <>
+double PdbAtomInfoContainer::get<double>(const PdbKey::PdbDataKey key) const;
+
 #endif /* PDBATOMINFOCONTAINER_HPP_ */