source: src/Actions/unittests/ManipulateAtomsUnitTest.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 6367dd, checked in by Frederik Heber <heber@…>, 11 years ago

ActionHistory now is part of ActionQueue.

  • Property mode set to 100644
File size: 4.4 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 * manipulateAtomsTest.cpp
25 *
26 * Created on: Feb 18, 2010
27 * Author: crueger
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35
36#include <cppunit/CompilerOutputter.h>
37#include <cppunit/extensions/TestFactoryRegistry.h>
38#include <cppunit/ui/text/TestRunner.h>
39#include <iostream>
40#include <boost/bind.hpp>
41
42#include "Descriptors/AtomDescriptor.hpp"
43#include "Descriptors/AtomIdDescriptor.hpp"
44#include "Actions/ManipulateAtomsProcess.hpp"
45#include "Actions/ActionQueue.hpp"
46
47#include "World.hpp"
48#include "Atom/atom.hpp"
49
50#include "stubs/DummyUI.hpp"
51
52#include "ManipulateAtomsUnitTest.hpp"
53
54using namespace MoleCuilder;
55
56#ifdef HAVE_TESTRUNNER
57#include "UnitTestMain.hpp"
58#endif /*HAVE_TESTRUNNER*/
59
60// Registers the fixture into the 'registry'
61CPPUNIT_TEST_SUITE_REGISTRATION( manipulateAtomsTest );
62
63// some stubs
64class AtomStub : public atom {
65public:
66 AtomStub(int _id) :
67 atom(),
68 manipulated(false),
69 id(_id)
70 {}
71
72 virtual atomId_t getId(){
73 return id;
74 }
75
76 virtual void doSomething(){
77 manipulated = true;
78 }
79
80 bool manipulated;
81private:
82 atomId_t id;
83};
84
85class countObserver : public Observer{
86public:
87 countObserver() :
88 Observer("countObserver"),
89 count(0)
90 {}
91 virtual ~countObserver(){}
92
93 void update(Observable *){
94 count++;
95 }
96
97 void subjectKilled(Observable *)
98 {}
99
100 int count;
101};
102
103// set up and tear down
104void manipulateAtomsTest::setUp(){
105 hasDescriptor = false;
106 World::getInstance();
107
108 // setup ActionHistory
109 ActionQueue::getInstance();
110
111 // TODO: find a way to really reset the factory to a clean state in tear-down
112 if(!hasDescriptor){
113 UIFactory::registerFactory(new DummyUIFactory::description());
114 hasDescriptor = true;
115 }
116 UIFactory::makeUserInterface("Dummy");
117 for(int i=0;i<ATOM_COUNT;++i){
118 atoms[i]= new AtomStub(i);
119 World::getInstance().registerAtom(atoms[i]);
120 }
121}
122void manipulateAtomsTest::tearDown(){
123 World::purgeInstance();
124 ActionQueue::purgeInstance();
125 {
126 UIFactory::purgeInstance();
127 hasDescriptor = false;
128 }
129}
130
131static void operation(atom* _atom){
132 AtomStub *atom = dynamic_cast<AtomStub*>(_atom);
133 CPPUNIT_ASSERT(atom);
134 atom->doSomething();
135}
136
137
138void manipulateAtomsTest::testManipulateSimple(){
139 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms());
140 proc->call();
141 std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
142 std::vector<atom*>::iterator iter;
143 for(iter=allAtoms.begin();iter!=allAtoms.end();++iter){
144 AtomStub *atom;
145 atom = dynamic_cast<AtomStub*>(*iter);
146 CPPUNIT_ASSERT(atom);
147 CPPUNIT_ASSERT(atom->manipulated);
148 }
149}
150
151void manipulateAtomsTest::testManipulateExcluded(){
152
153 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2));
154 proc->call();
155 std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
156 std::vector<atom*>::iterator iter;
157 for(iter=allAtoms.begin();iter!=allAtoms.end();++iter){
158 AtomStub *atom;
159 atom = dynamic_cast<AtomStub*>(*iter);
160 CPPUNIT_ASSERT(atom);
161 if(atom->getId()!=(int)ATOM_COUNT/2)
162 CPPUNIT_ASSERT(atom->manipulated);
163 else
164 CPPUNIT_ASSERT(!atom->manipulated);
165 }
166}
167
168void manipulateAtomsTest::testObserver(){
169 countObserver *obs = new countObserver();
170 World::getInstance().signOn(obs);
171 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms());
172 proc->call();
173
174 CPPUNIT_ASSERT_EQUAL(1,obs->count);
175 World::getInstance().signOff(obs);
176 delete obs;
177}
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