source: src/Fragmentation/Homology/unittests/stubs/FragmentStub.cpp@ ffa69c

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since ffa69c was a2a2f7, checked in by Frederik Heber <heber@…>, 11 years ago

Huge warning fix.

  • fixed unused variables.
  • fixed set but unused variables.
  • fixed signed vs. unsigned int comparison.
  • fixed static_warning_test<false, 98> (commented out _IMPLEMENT).
  • Property mode set to 100644
File size: 4.0 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
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
45#include "Fragmentation/Summation/SetValues/Fragment.hpp"
46
47#include <iostream>
48#include <vector>
49
50/** Default constructor of class Fragment.
51 *
52 */
53Fragment::Fragment() {}
54
55/** Constructor of class Fragment.
56 *
57 * @param _positions given positions
58 * @param _charges given charges
59 */
60Fragment::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 */
71Fragment& 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 */
79Fragment& 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 */
87Fragment& Fragment::operator-=(const Fragment &other)
88{ return *this; }
89
90/** Getter for all stored positions.
91 *
92 * @return vector of positions
93 */
94Fragment::positions_t Fragment::getPositions() const
95{ return positions_t(); }
96
97/** Getter for all stored charges.
98 *
99 * @return vector of charges
100 */
101Fragment::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 */
109bool 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//
129//// we need to explicitly instantiate the serialization functions
130//BOOST_CLASS_EXPORT_IMPLEMENT(Fragment)
131
132/** Equality operator for two nuclei.
133 *
134 * @param a first nuclei
135 * @param b second nuclei
136 * @return true - both have same position and charge, false - either charge or position is different
137 */
138bool operator==(const Fragment::nucleus_t &a, const Fragment::nucleus_t &b)
139{ return true; }
140
141std::ostream & operator<<(std::ostream &ost, const Fragment::nucleus_t &n)
142{ return ost; }
143
144std::ostream & operator<<(std::ostream &ost, const Fragment &f)
145{ return ost; }
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