source: src/element.cpp@ 7326b2

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Last change on this file since 7326b2 was cd4ccc, checked in by Frederik Heber <heber@…>, 15 years ago

definitions for class element and verbose moved to their own header files and reducing contents of helpers.hpp
  • Property mode set to 100755
File size: 1.5 KB
Line 
1/** \file element.cpp
2 *
3 * Function implementations for the class element.
4 *
5 */
6
7#include <iomanip>
8#include <fstream>
9
10#include "element.hpp"
11
12/************************************* Functions for class element **********************************/
13
14/** Constructor of class element.
15 */
16element::element() {
17 Z = -1;
18 No = -1;
19 previous = NULL;
20 next = NULL;
21 sort = NULL;
22};
23
24/** Destructor of class element.
25 */
26element::~element() {};
27
28/** Prints element data to \a *out.
29 * \param *out outstream
30 */
31bool element::Output(ofstream *out) const
32{
33 if (out != NULL) {
34 *out << name << "\t" << symbol << "\t" << period << "\t" << group << "\t" << block << "\t" << Z << "\t" << mass << "\t" << CovalentRadius << "\t" << VanDerWaalsRadius << endl;
35 //*out << Z << "\t" << fixed << setprecision(11) << showpoint << mass << "g/mol\t" << name << "\t" << symbol << "\t" << endl;
36 return true;
37 } else
38 return false;
39};
40
41/** Prints element data to \a *out.
42 * \param *out outstream
43 * \param No cardinal number of element
44 * \param NoOfAtoms total number of atom of this element type
45 */
46bool element::Checkout(ofstream *out, const int Number, const int NoOfAtoms) const
47{
48 if (out != NULL) {
49 *out << "Ion_Type" << Number << "\t" << NoOfAtoms << "\t" << Z << "\t1.0\t3\t3\t" << fixed << setprecision(11) << showpoint << mass << "\t" << name << "\t" << symbol <<endl;
50 return true;
51 } else
52 return false;
53};
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