Changes in src/periodentafel.cpp [389cc8:f34c23]

File:

• src/periodentafel.cpp (modified) (2 diffs)

src/periodentafel.cpp

@@ -125 +125 @@
  * \return pointer to element
  */
-element * const periodentafel::FindElement(const string &shorthand) const
+element * const periodentafel::FindElement(const char * const shorthand) const
 {
   element *res = 0;
@@ -205 +205 @@
     for(const_iterator iter=elements.begin(); iter !=elements.end();++iter){
       result = result && (*iter).second->Output(output);
+    }
+    return result;
+  } else
+    return false;
+};
+
+/** Prints period table to given stream.
+ * \param *output output stream
+ * \param *checkliste elements table for this molecule
+ */
+bool periodentafel::Checkout(ostream * const output, const int * const checkliste) const
+{
+  bool result = true;
+  int No = 1;
+
+  if (output != NULL) {
+    *output << "# Ion type data (PP = PseudoPotential, Z = atomic number)" << endl;
+    *output << "#Ion_TypeNr.\tAmount\tZ\tRGauss\tL_Max(PP)L_Loc(PP)IonMass\t# chemical name, symbol" << endl;
+    for(const_iterator iter=elements.begin(); iter!=elements.end();++iter){
+      if (((*iter).first < MAX_ELEMENTS) && (checkliste[(*iter).first])) {
+        (*iter).second->No = No;
+        result = result && (*iter).second->Checkout(output, No++, checkliste[(*iter).first]);
+      }
     }
     return result;