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  • src/element.cpp

    r6ac7ee r042f82  
    1212 */
    1313element::element() {
    14         Z = -1;
    15         No = -1;
    16         previous = NULL;
    17         next = NULL;
    18         sort = NULL;
     14  Z = -1;
     15  No = -1;
     16  previous = NULL;
     17  next = NULL;
     18  sort = NULL;
    1919};
    2020
     
    2828bool element::Output(ofstream *out) const
    2929{
    30         if (out != NULL) {
    31                 *out << name << "\t" << symbol << "\t" << period << "\t" << group << "\t" << block << "\t" << Z << "\t" << mass << "\t" << CovalentRadius << "\t" << VanDerWaalsRadius << endl;
    32                 //*out << Z << "\t"     << fixed << setprecision(11) << showpoint << mass << "g/mol\t" << name << "\t" << symbol << "\t" << endl;
    33                 return true;
    34         } else
    35                 return false;
     30  if (out != NULL) {
     31    *out << name << "\t" << symbol << "\t" << period << "\t" << group << "\t" << block << "\t" << Z << "\t" << mass << "\t" << CovalentRadius << "\t" << VanDerWaalsRadius << endl;
     32    //*out << Z << "\t"  << fixed << setprecision(11) << showpoint << mass << "g/mol\t" << name << "\t" << symbol << "\t" << endl;
     33    return true;
     34  } else
     35    return false;
    3636};
    3737
    3838/** Prints element data to \a *out.
    3939 * \param *out outstream
    40  * \param No    cardinal number of element
     40 * \param No  cardinal number of element
    4141 * \param NoOfAtoms total number of atom of this element type
    4242 */
    4343bool element::Checkout(ofstream *out, const int Number, const int NoOfAtoms) const
    4444{
    45         if (out != NULL) {
    46                 *out << "Ion_Type" << Number << "\t" << NoOfAtoms << "\t" << Z << "\t1.0\t3\t3\t" << fixed << setprecision(11) << showpoint << mass << "\t" << name << "\t" << symbol <<endl;
    47                 return true;
    48         } else
    49                 return false;
     45  if (out != NULL) {
     46    *out << "Ion_Type" << Number << "\t" << NoOfAtoms << "\t" << Z << "\t1.0\t3\t3\t" << fixed << setprecision(11) << showpoint << mass << "\t" << name << "\t" << symbol <<endl;
     47    return true;
     48  } else
     49    return false;
    5050};
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