[312c0d] | 1 | /*
|
---|
| 2 | * Project: MoleCuilder
|
---|
| 3 | * Description: creates and alters molecular systems
|
---|
| 4 | * Copyright (C) 2012 University of Bonn. All rights reserved.
|
---|
[5aaa43] | 5 | * Copyright (C) 2013 Frederik Heber. All rights reserved.
|
---|
[312c0d] | 6 | * Please see the COPYING file or "Copyright notice" in builder.cpp for details.
|
---|
| 7 | *
|
---|
| 8 | *
|
---|
| 9 | * This file is part of MoleCuilder.
|
---|
| 10 | *
|
---|
| 11 | * MoleCuilder is free software: you can redistribute it and/or modify
|
---|
| 12 | * it under the terms of the GNU General Public License as published by
|
---|
| 13 | * the Free Software Foundation, either version 2 of the License, or
|
---|
| 14 | * (at your option) any later version.
|
---|
| 15 | *
|
---|
| 16 | * MoleCuilder is distributed in the hope that it will be useful,
|
---|
| 17 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
|
---|
| 18 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
---|
| 19 | * GNU General Public License for more details.
|
---|
| 20 | *
|
---|
| 21 | * You should have received a copy of the GNU General Public License
|
---|
| 22 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
|
---|
| 23 | */
|
---|
| 24 |
|
---|
| 25 | /*
|
---|
| 26 | * FragmentMock.cpp
|
---|
| 27 | *
|
---|
| 28 | * Created on: Dec 20, 2012
|
---|
| 29 | * Author: heber
|
---|
| 30 | */
|
---|
| 31 |
|
---|
| 32 |
|
---|
| 33 | // include config.h
|
---|
| 34 | #ifdef HAVE_CONFIG_H
|
---|
| 35 | #include <config.h>
|
---|
| 36 | #endif
|
---|
| 37 |
|
---|
| 38 | // include headers that implement a archive in simple text format
|
---|
| 39 | // otherwise BOOST_CLASS_EXPORT_IMPLEMENT has no effect
|
---|
| 40 | #include <boost/archive/text_oarchive.hpp>
|
---|
| 41 | #include <boost/archive/text_iarchive.hpp>
|
---|
| 42 |
|
---|
| 43 | #include "CodePatterns/MemDebug.hpp"
|
---|
| 44 |
|
---|
[fbf143] | 45 | #include "Fragmentation/Summation/SetValues/Fragment.hpp"
|
---|
[312c0d] | 46 |
|
---|
| 47 | #include <iostream>
|
---|
| 48 | #include <vector>
|
---|
| 49 |
|
---|
| 50 | /** Default constructor of class Fragment.
|
---|
| 51 | *
|
---|
| 52 | */
|
---|
| 53 | Fragment::Fragment() {}
|
---|
| 54 |
|
---|
| 55 | /** Constructor of class Fragment.
|
---|
| 56 | *
|
---|
| 57 | * @param _positions given positions
|
---|
| 58 | * @param _charges given charges
|
---|
| 59 | */
|
---|
| 60 | Fragment::Fragment(const positions_t &_positions, const charges_t &_charges)
|
---|
| 61 | {}
|
---|
| 62 |
|
---|
| 63 | /** Adding another fragment onto this one.
|
---|
| 64 | *
|
---|
| 65 | * \note The operation is area-conserving, i.e. the new area is the sum of
|
---|
| 66 | * both areas.
|
---|
| 67 | *
|
---|
| 68 | * @param other other fragment
|
---|
| 69 | * @return ref to this instance
|
---|
| 70 | */
|
---|
| 71 | Fragment& Fragment::operator+=(const Fragment &other)
|
---|
| 72 | { return *this; }
|
---|
| 73 |
|
---|
| 74 | /** Assignment operator.
|
---|
| 75 | *
|
---|
| 76 | * @param other other fragment to make ourselves equal to
|
---|
| 77 | * @return ref to this instance
|
---|
| 78 | */
|
---|
| 79 | Fragment& Fragment::operator=(const Fragment &other)
|
---|
| 80 | { return *this; }
|
---|
| 81 |
|
---|
| 82 | /** Subtracting another fragment from this one.
|
---|
| 83 | *
|
---|
| 84 | * @param other other fragment
|
---|
| 85 | * @return ref to this instance
|
---|
| 86 | */
|
---|
| 87 | Fragment& Fragment::operator-=(const Fragment &other)
|
---|
| 88 | { return *this; }
|
---|
| 89 |
|
---|
| 90 | /** Getter for all stored positions.
|
---|
| 91 | *
|
---|
| 92 | * @return vector of positions
|
---|
| 93 | */
|
---|
| 94 | Fragment::positions_t Fragment::getPositions() const
|
---|
| 95 | { return positions_t(); }
|
---|
| 96 |
|
---|
| 97 | /** Getter for all stored charges.
|
---|
| 98 | *
|
---|
| 99 | * @return vector of charges
|
---|
| 100 | */
|
---|
| 101 | Fragment::charges_t Fragment::getCharges() const
|
---|
| 102 | { return charges_t(); }
|
---|
| 103 |
|
---|
| 104 | /** Equality operator.
|
---|
| 105 | *
|
---|
| 106 | * @param other other instance to check against
|
---|
| 107 | * @return true - both are equal, false - some nucleus_t differ
|
---|
| 108 | */
|
---|
| 109 | bool Fragment::operator==(const Fragment& other) const
|
---|
| 110 | { return true; }
|
---|
| 111 |
|
---|
| 112 | /** Creates type nucleus_t from given \a position and \a charge.
|
---|
| 113 | *
|
---|
| 114 | * @param position position of nucleus to create
|
---|
| 115 | * @param charge charge of nucleus to create
|
---|
| 116 | * @return nucleus with given \a position and \a charge
|
---|
| 117 | */
|
---|
| 118 | // static nucleus_t Fragment::createNucleus(const position_t &position, const double charge);
|
---|
| 119 |
|
---|
| 120 | /** Helper function to check whether two positions are equal.
|
---|
| 121 | *
|
---|
| 122 | * @param a first position
|
---|
| 123 | * @param b second position
|
---|
| 124 | * @return a equals b within numerical precision
|
---|
| 125 | */
|
---|
| 126 | // static bool Fragment::isPositionEqual(const position_t &a, const position_t &b);
|
---|
| 127 |
|
---|
| 128 | // we need to explicitly instantiate the serialization functions
|
---|
| 129 | BOOST_CLASS_EXPORT_IMPLEMENT(Fragment)
|
---|
| 130 |
|
---|
| 131 | /** Equality operator for two nuclei.
|
---|
| 132 | *
|
---|
| 133 | * @param a first nuclei
|
---|
| 134 | * @param b second nuclei
|
---|
| 135 | * @return true - both have same position and charge, false - either charge or position is different
|
---|
| 136 | */
|
---|
| 137 | bool operator==(const Fragment::nucleus_t &a, const Fragment::nucleus_t &b)
|
---|
| 138 | { return true; }
|
---|
| 139 |
|
---|
| 140 | std::ostream & operator<<(std::ostream &ost, const Fragment::nucleus_t &n)
|
---|
| 141 | { return ost; }
|
---|
| 142 |
|
---|
| 143 | std::ostream & operator<<(std::ostream &ost, const Fragment &f)
|
---|
| 144 | { return ost; }
|
---|