Changes in src/element.cpp [6ac7ee:042f82]
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
src/element.cpp
r6ac7ee r042f82 12 12 */ 13 13 element::element() { 14 15 16 17 18 14 Z = -1; 15 No = -1; 16 previous = NULL; 17 next = NULL; 18 sort = NULL; 19 19 }; 20 20 … … 28 28 bool element::Output(ofstream *out) const 29 29 { 30 31 32 //*out << Z << "\t"<< fixed << setprecision(11) << showpoint << mass << "g/mol\t" << name << "\t" << symbol << "\t" << endl;33 34 35 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; 36 36 }; 37 37 38 38 /** Prints element data to \a *out. 39 39 * \param *out outstream 40 * \param No 40 * \param No cardinal number of element 41 41 * \param NoOfAtoms total number of atom of this element type 42 42 */ 43 43 bool element::Checkout(ofstream *out, const int Number, const int NoOfAtoms) const 44 44 { 45 46 47 48 49 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; 50 50 };
Note:
See TracChangeset
for help on using the changeset viewer.