source: src/element.cpp@ 5f612ee

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Last change on this file since 5f612ee was ead4e6, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Made the periodentafel use STL-containers instead of custom llists
  • Property mode set to 100755
File size: 1.7 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
12using namespace std;
13
14/************************************* Functions for class element **********************************/
15
16/** Constructor of class element.
17 */
18element::element() :
19 mass(0),
20 CovalentRadius(0),
21 VanDerWaalsRadius(0),
22 Z(-1),
23 previous(NULL),
24 next(NULL),
25 sort(NULL),
26 No(-1),
27 Valence(0),
28 NoValenceOrbitals(0)
29{
30};
31
32/** Destructor of class element.
33 */
34element::~element() {};
35
36/** Prints element data to \a *out.
37 * \param *out outstream
38 */
39bool element::Output(ostream * const out) const
40{
41 if (out != NULL) {
42 *out << name << "\t" << symbol << "\t" << period << "\t" << group << "\t" << block << "\t" << Z << "\t" << mass << "\t" << CovalentRadius << "\t" << VanDerWaalsRadius << endl;
43 //*out << Z << "\t" << fixed << setprecision(11) << showpoint << mass << "g/mol\t" << name << "\t" << symbol << "\t" << endl;
44 return true;
45 } else
46 return false;
47};
48
49/** Prints element data to \a *out.
50 * \param *out outstream
51 * \param No cardinal number of element
52 * \param NoOfAtoms total number of atom of this element type
53 */
54bool element::Checkout(ostream * const out, const int Number, const int NoOfAtoms) const
55{
56 if (out != NULL) {
57 *out << "Ion_Type" << Number << "\t" << NoOfAtoms << "\t" << Z << "\t1.0\t3\t3\t" << fixed << setprecision(11) << showpoint << mass << "\t" << name << "\t" << symbol <<endl;
58 return true;
59 } else
60 return false;
61};
62
63atomicNumber_t element::getNumber() const{
64 return Z;
65}
66
67string element::getSymbol() const{
68 return string(symbol);
69}
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