Changes in src/element.cpp [e138de:ead4e6]

File:

• src/element.cpp (modified) (4 diffs)

src/element.cpp

@@ -10 +10 @@
 #include "element.hpp"
 
+using namespace std;
+
 /************************************* Functions for class element **********************************/
 
 /** Constructor of class element.
  */
-element::element() {
-  Z = -1;
-  No = -1;
-  previous = NULL;
-  next = NULL;
-  sort = NULL;
+element::element() :
+  mass(0),
+  CovalentRadius(0),
+  VanDerWaalsRadius(0),
+        Z(-1),
+        previous(NULL),
+        next(NULL),
+        sort(NULL),
+        No(-1),
+        Valence(0),
+        NoValenceOrbitals(0)
+{
 };
 
@@ -29 +37 @@
  * \param *out outstream
  */
-bool element::Output(ofstream * const out) const
+bool element::Output(ostream * const out) const
 { 
   if (out != NULL) {
@@ -44 +52 @@
  * \param NoOfAtoms total number of atom of this element type
  */
-bool element::Checkout(ofstream * const out, const int Number, const int NoOfAtoms) const
+bool element::Checkout(ostream * const out, const int Number, const int NoOfAtoms) const
 { 
   if (out != NULL) {
@@ -52 +60 @@
     return false;
 };
+
+atomicNumber_t element::getNumber() const{
+  return Z;
+}
+
+string element::getSymbol() const{
+  return string(symbol);
+}