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  • src/Legacy/oldmenu.cpp

    r35b698 r112b09  
    8787        Dialog *dialog = UIFactory::getInstance().makeDialog();
    8888        first = World::getInstance().createAtom();
    89         std::vector<element *> elements;
    9089        dialog->queryVector("Please enter coordinates: ",&first->x,World::getInstance().getDomain(), false);
    91         dialog->queryElement("Please choose element: ",&elements);
     90        dialog->queryElement("Please choose element: ",&first->type);
    9291        if(dialog->display()){
    93           if (elements.size() == 1) {
    94             first->type = elements.at(0);
    95             mol->AddAtom(first);  // add to molecule
    96           } else {
    97             DoeLog(1) && (eLog() << Verbose(1) << "Unequal to one element given for element of new atom." << endl);
    98           }
     92          mol->AddAtom(first);  // add to molecule
    9993        }
    10094        else{
     
    609603{
    610604  int Order1;
    611   std::string path;
    612605  clock_t start, end;
    613606
     
    615608  Log() << Verbose(0) << "What's the desired bond order: ";
    616609  cin >> Order1;
    617   DoLog(0) && (Log() << Verbose(0) << "What's the output path and prefix [e.g. /home/foo/BondFragment]: ");
    618   cin >> path;
    619610  if (mol->hasBondStructure()) {
    620611    start = clock();
    621     mol->FragmentMolecule(Order1, path);
     612    mol->FragmentMolecule(Order1, configuration);
    622613    end = clock();
    623614    Log() << Verbose(0) << "Clocks for this operation: " << (end-start) << ", time: " << ((double)(end-start)/CLOCKS_PER_SEC) << "s." << endl;
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