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Last change
on this file since 794482 was 543ce4, checked in by Frederik Heber <heber@…>, 16 years ago |
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Huge change from ofstream * (const) out --> Log().
- first shift was done via regular expressions
- then via error messages from the code
- note that class atom, class element and class molecule kept in parts their output stream, was they print to file.
- make check runs fine
- MISSING: Verbosity is not fixed for everything (i.e. if no endl; is present and next has Verbose(0) ...)
Signed-off-by: Frederik Heber <heber@…>
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Property mode
set to
100755
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File size:
1.5 KB
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| 1 | /** \file element.cpp
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| 2 | *
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| 3 | * Function implementations for the class element.
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| 4 | *
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| 5 | */
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| 6 |
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| 7 | #include <iomanip>
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| 8 | #include <fstream>
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| 9 |
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| 10 | #include "element.hpp"
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| 11 |
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| 12 | /************************************* Functions for class element **********************************/
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| 13 |
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| 14 | /** Constructor of class element.
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| 15 | */
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| 16 | element::element() {
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| 17 | Z = -1;
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| 18 | No = -1;
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| 19 | previous = NULL;
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| 20 | next = NULL;
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| 21 | sort = NULL;
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| 22 | };
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| 23 |
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| 24 | /** Destructor of class element.
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| 25 | */
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| 26 | element::~element() {};
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| 27 |
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| 28 | /** Prints element data to \a *out.
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| 29 | * \param *out outstream
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| 30 | */
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| 31 | bool element::Output(ofstream * const out) const
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| 32 | {
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| 33 | if (out != NULL) {
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| 34 | *out << name << "\t" << symbol << "\t" << period << "\t" << group << "\t" << block << "\t" << Z << "\t" << mass << "\t" << CovalentRadius << "\t" << VanDerWaalsRadius << endl;
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| 35 | //*out << Z << "\t" << fixed << setprecision(11) << showpoint << mass << "g/mol\t" << name << "\t" << symbol << "\t" << endl;
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| 36 | return true;
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| 37 | } else
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| 38 | return false;
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| 39 | };
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| 40 |
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| 41 | /** Prints element data to \a *out.
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| 42 | * \param *out outstream
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| 43 | * \param No cardinal number of element
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| 44 | * \param NoOfAtoms total number of atom of this element type
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| 45 | */
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| 46 | bool element::Checkout(ofstream * const out, const int Number, const int NoOfAtoms) const
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| 47 | {
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| 48 | if (out != NULL) {
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| 49 | *out << "Ion_Type" << Number << "\t" << NoOfAtoms << "\t" << Z << "\t1.0\t3\t3\t" << fixed << setprecision(11) << showpoint << mass << "\t" << name << "\t" << symbol <<endl;
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| 50 | return true;
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| 51 | } else
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| 52 | return false;
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| 53 | };
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