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Last change
on this file since 3021d93 was e08f45, checked in by Frederik Heber <heber@…>, 17 years ago |
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Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/linkedcell.hpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
util/src/NanoCreator.c
Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.
Additionally, vector had ofstream << operator instead ostream << ...
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Property mode
set to
100755
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File size:
1.4 KB
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| [a0bcf1] | 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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| [375dcf] | 7 | #include "periodentafel.hpp"
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| [a0bcf1] | 8 |
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| 9 | /************************************* Functions for class element **********************************/
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| 10 |
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| 11 | /** Constructor of class element.
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| 12 | */
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| [51483b] | 13 | element::element() {
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| [e08f45] | 14 | Z = -1;
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| 15 | No = -1;
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| 16 | previous = NULL;
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| 17 | next = NULL;
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| 18 | sort = NULL;
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| [51483b] | 19 | };
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| [a0bcf1] | 20 |
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| 21 | /** Destructor of class element.
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| 22 | */
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| 23 | element::~element() {};
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| 24 |
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| 25 | /** Prints element data to \a *out.
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| 26 | * \param *out outstream
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| 27 | */
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| 28 | bool element::Output(ofstream *out) const
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| 29 | {
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| [e08f45] | 30 | if (out != NULL) {
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| 31 | *out << name << "\t" << symbol << "\t" << period << "\t" << group << "\t" << block << "\t" << Z << "\t" << mass << "\t" << CovalentRadius << "\t" << VanDerWaalsRadius << endl;
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| 32 | //*out << Z << "\t" << fixed << setprecision(11) << showpoint << mass << "g/mol\t" << name << "\t" << symbol << "\t" << endl;
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| 33 | return true;
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| 34 | } else
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| 35 | return false;
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| [a0bcf1] | 36 | };
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| 37 |
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| 38 | /** Prints element data to \a *out.
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| 39 | * \param *out outstream
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| [e08f45] | 40 | * \param No cardinal number of element
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| [a0bcf1] | 41 | * \param NoOfAtoms total number of atom of this element type
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| 42 | */
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| [75793b2] | 43 | bool element::Checkout(ofstream *out, const int Number, const int NoOfAtoms) const
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| [a0bcf1] | 44 | {
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| [e08f45] | 45 | if (out != NULL) {
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| 46 | *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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| 47 | return true;
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| 48 | } else
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| 49 | return false;
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| [a0bcf1] | 50 | };
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