Changes in src/Formula.cpp [426f2a:bcf653]

File:

• src/Formula.cpp (modified) (10 diffs)

src/Formula.cpp

@@ +1 @@
+/*
+ * Project: MoleCuilder
+ * Description: creates and alters molecular systems
+ * Copyright (C)  2010 University of Bonn. All rights reserved.
+ * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
+ */
+
 /*
  * Formula.cpp
@@ -6 +13 @@
  */
 
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+#include "Helpers/MemDebug.hpp"
+
 #include "Formula.hpp"
 
@@ -47 +61 @@
   for(const_iterator iter=end();iter!=begin();){
     --iter;
-    sstr << (*iter).first->symbol;
+    sstr << (*iter).first->getSymbol();
     if((*iter).second>1)
       sstr << (*iter).second;
@@ -146 +160 @@
 
 bool Formula::hasElement(const string &shorthand) const{
-  element * element = World::getInstance().getPeriode()->FindElement(shorthand);
+  const element * element = World::getInstance().getPeriode()->FindElement(shorthand);
   return hasElement(element);
 }
@@ -167 +181 @@
 
 void Formula::operator+=(const string &shorthand){
-  element * element = World::getInstance().getPeriode()->FindElement(shorthand);
+  const element * element = World::getInstance().getPeriode()->FindElement(shorthand);
   operator+=(element);
 }
@@ -198 +212 @@
 
 void Formula::operator-=(const string &shorthand){
-  element * element = World::getInstance().getPeriode()->FindElement(shorthand);
+  const element * element = World::getInstance().getPeriode()->FindElement(shorthand);
   operator-=(element);
 }
@@ -220 +234 @@
 
 void Formula::addElements(const string &shorthand,unsigned int count){
-  element * element = World::getInstance().getPeriode()->FindElement(shorthand);
+  const element * element = World::getInstance().getPeriode()->FindElement(shorthand);
   addElements(element,count);
 }
@@ -252 +266 @@
 
 const unsigned int Formula::operator[](string shorthand) const{
-  element * element = World::getInstance().getPeriode()->FindElement(shorthand);
+  const element * element = World::getInstance().getPeriode()->FindElement(shorthand);
   return operator[](element);
 }
@@ -380 +394 @@
 result_type
 Formula::_iterator<result_type>::operator*(){
-  element *element = World::getInstance().getPeriode()->FindElement(pos+1);
+  const element *element = World::getInstance().getPeriode()->FindElement(pos+1);
   ASSERT(element,"Element with position of iterator not found");
   return make_pair(element,(*set)[pos]);
@@ -390 +404 @@
   // no one can keep this value around, so a static is ok to avoid temporaries
   static value_type value=make_pair(reinterpret_cast<element*>(0),0); // no default constructor for std::pair
-  element *element = World::getInstance().getPeriode()->FindElement(pos+1);
+  const element *element = World::getInstance().getPeriode()->FindElement(pos+1);
   ASSERT(element,"Element with position of iterator not found");
   value = make_pair(element,(*set)[pos]);