Changes in src/element.cpp [cc2ee5:6ac7ee]
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src/element.cpp (modified) (2 diffs)
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src/element.cpp
rcc2ee5 r6ac7ee 12 12 */ 13 13 element::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; 19 19 }; 20 20 … … 28 28 bool element::Output(ofstream *out) const 29 29 { 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 } else35 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; 36 36 }; 37 37 38 38 /** Prints element data to \a *out. 39 39 * \param *out outstream 40 * \param No cardinal number of element40 * \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 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 } else49 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; 50 50 };
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