source: src/Actions/ActionTrait.cpp@ d93d2c

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 d93d2c was 94d5ac6, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: As we use GSL internally, we are as of now required to use GPL v2 license.

  • GNU Scientific Library is used at every place in the code, especially the sub-package LinearAlgebra is based on it which in turn is used really everywhere in the remainder of MoleCuilder. Hence, we have to use the GPL license for the whole of MoleCuilder. In effect, GPL's COPYING was present all along and stated the terms of the GPL v2 license.
  • Hence, I added the default GPL v2 disclaimer to every source file and removed the note about a (actually missing) LICENSE file.
  • also, I added a help-redistribute action which again gives the disclaimer of the GPL v2.
  • also, I changed in the disclaimer that is printed at every program start in builder_init.cpp.
  • TEST: Added check on GPL statement present in every module to test CodeChecks project-disclaimer.
  • Property mode set to 100644
File size: 5.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * ActionTrait.cpp
25 *
26 * Created on: Oct 26, 2010
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include "CodePatterns/MemDebug.hpp"
36
37#include "Actions/ActionTrait.hpp"
38
39#include "CodePatterns/Assert.hpp"
40
41#include <iostream>
42#include <sstream>
43#include <string>
44#include <typeinfo>
45
46using namespace MoleCuilder;
47
48/** Copy constructor for base class ActionTrait.
49 * \param &_Traits source ActionTrait class to copy
50 */
51ActionTrait::ActionTrait(const std::string &_token) :
52 OptionTrait(_token,
53 &typeid(void),
54 "this is an invisible action",
55 "",
56 ""
57 )
58{
59 //std::cout << "ActionTrait::ActionTrait(std::string &) on instance " << this << " with " << getName() << ", type " << getTypeName() << " and description " << getDescription() << std::endl;
60}
61
62/** Copy constructor for base class ActionTrait.
63 * we have to make our own copy in order to avoid references and deep-copy everything.
64 * \param &_Traits source ActionTrait class to copy
65 */
66ActionTrait::ActionTrait(const ActionTrait &_Traits) :
67 OptionTrait(_Traits),
68 MenuTitle(_Traits.MenuTitle),
69 MenuPosition(_Traits.MenuPosition)
70{
71 for (options_const_iterator iter = _Traits.Options.begin(); iter != _Traits.Options.end(); ++iter) {
72 Options.insert(
73 std::make_pair(
74 iter->first,
75 new OptionTrait(*iter->second)
76 )
77 );
78 }
79 //std::cout << "ActionTrait::ActionTrait(ActionTrait &) on instance " << this << " with " << getName() << ", type " << getTypeName() << " and description " << getDescription() << std::endl;
80}
81
82/** Copy constructor for base class ActionTrait.
83 * we have to make our own copy in order to avoid references and deep-copy everything.
84 * \param &_Traits source OptionTrait class to copy
85 */
86ActionTrait::ActionTrait(const OptionTrait &_Traits, const std::string _MenuTitle, const int _MenuPosition) :
87 OptionTrait(_Traits),
88 MenuTitle(_MenuTitle),
89 MenuPosition(_MenuPosition)
90{
91 //std::cout << "ActionTrait::ActionTrait(OptionTrait &) on instance " << this << " with " << getName() << ", type " << getTypeName() << " and description " << getDescription() << std::endl;
92}
93
94/** Constructor for base class ActionTrait.
95 * Deletes all present Options.
96 */
97ActionTrait::~ActionTrait()
98{
99 //std::cout << "ActionTrait::~ActionTrait() on instance " << this << " with name " << getName() << " called." << std::endl;
100 for (options_iterator iter = Options.begin(); iter != Options.end(); ++iter) {
101 //std::cout << "ActionTrait::~ActionTrait() removes option instance " << iter->second << " with name " << iter->first << "." << std::endl;
102 delete iter->second;
103 }
104 Options.clear();
105}
106
107
108/** Returns menu title for this ActionTrait.
109 * \return ActionTrait::MenuTitle as std::string
110 */
111const std::string& ActionTrait::getMenuName() const
112{
113 return MenuTitle;
114}
115
116/** Returns menu title for this ActionTrait.
117 * \return ActionTrait::MenuPosition as std::string
118 */
119int ActionTrait::getMenuPosition() const
120{
121 return MenuPosition;
122}
123
124/** Returns Description for the given option of this ActionTrait.
125 * \param &token token of option
126 * \return reference to OptionTrait
127 */
128OptionTrait const & ActionTrait::getOption(const std::string &token) const
129{
130 ASSERT(Options.find(token) != Options.end(),
131 "ActionTrait::getOption() - Option not found!");
132 return *(Options.find(token)->second);
133}
134
135/** States whether given option (token) is present or not.
136 * \param &token name of option
137 * \return true - option present, false - not
138 */
139bool ActionTrait::hasOption(const std::string &token) const
140{
141 return (Options.find(token) != Options.end());
142}
143
144/** States whether this Action has options at all.
145 * \return true - options present, false - no options
146 */
147bool ActionTrait::hasOptions() const
148{
149 return (Options.begin() != Options.end());
150}
151
152/** Forward iterator from beginning of list of options.
153 * \return iterator
154 */
155ActionTrait::options_iterator ActionTrait::getBeginIter()
156{
157 return Options.begin();
158}
159
160/** Forward iterator at end of list of options.
161 * \return iterator
162 */
163ActionTrait::options_iterator ActionTrait::getEndIter()
164{
165 return Options.end();
166}
167
168/** Constant forward iterator from beginning of list of options.
169 * \return constant iterator
170 */
171ActionTrait::options_const_iterator ActionTrait::getBeginIter() const
172{
173 return Options.begin();
174}
175
176/** Constant forward iterator at end of list of options.
177 * \return constant iterator
178 */
179ActionTrait::options_const_iterator ActionTrait::getEndIter() const
180{
181 return Options.end();
182}
183
184/** Output operator for ActionTrait.
185 *
186 * \param &out stream to output to
187 */
188std::ostream &operator<<(std::ostream &out, const ActionTrait &a)
189{
190 out << "ActionTrait(" << &a << ") with " << static_cast<const OptionTrait &>(a) << " has the following options: " << std::endl;
191 for (ActionTrait::options_const_iterator iter = a.getBeginIter();
192 iter != a.getEndIter();
193 ++iter) {
194 out << "\t - " << *iter->second << ")" << std::endl;
195 }
196 return out;
197}
198
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