Changes in src/Legacy/oldmenu.cpp [112b09:35b698]

File:

• src/Legacy/oldmenu.cpp (modified) (3 diffs)

src/Legacy/oldmenu.cpp

@@ -87 +87 @@
         Dialog *dialog = UIFactory::getInstance().makeDialog();
         first = World::getInstance().createAtom();
+        std::vector<element *> elements;
         dialog->queryVector("Please enter coordinates: ",&first->x,World::getInstance().getDomain(), false);
-        dialog->queryElement("Please choose element: ",&first->type);
+        dialog->queryElement("Please choose element: ",&elements);
         if(dialog->display()){
-          mol->AddAtom(first);  // add to molecule
+          if (elements.size() == 1) {
+            first->type = elements.at(0);
+            mol->AddAtom(first);  // add to molecule
+          } else {
+            DoeLog(1) && (eLog() << Verbose(1) << "Unequal to one element given for element of new atom." << endl);
+          }
         }
         else{
@@ -603 +609 @@
 {
   int Order1;
+  std::string path;
   clock_t start, end;
 
@@ -608 +615 @@
   Log() << Verbose(0) << "What's the desired bond order: ";
   cin >> Order1;
+  DoLog(0) && (Log() << Verbose(0) << "What's the output path and prefix [e.g. /home/foo/BondFragment]: ");
+  cin >> path;
   if (mol->hasBondStructure()) {
     start = clock();
-    mol->FragmentMolecule(Order1, configuration);
+    mol->FragmentMolecule(Order1, path);
     end = clock();
     Log() << Verbose(0) << "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s." << endl;