source: src/Actions/unittests/ManipulateAtomsUnitTest.cpp@ d67e6c

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 d67e6c was 628577, checked in by Frederik Heber <heber@…>, 12 years ago

Introduced ActionQueue which contains internal ActionRegistry.

  • Property mode set to 100644
File size: 4.4 KB
RevLine 
[bcf653]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[94d5ac6]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/>.
[bcf653]21 */
22
[b2cfdb]23/*
24 * manipulateAtomsTest.cpp
25 *
26 * Created on: Feb 18, 2010
27 * Author: crueger
28 */
29
[bf3817]30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
[b2cfdb]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"
[628577]45#include "Actions/ActionQueue.hpp"
[975a11]46#include "Actions/ActionHistory.hpp"
[b2cfdb]47
48#include "World.hpp"
[6f0841]49#include "Atom/atom.hpp"
[b2cfdb]50
[fdcd1b]51#include "stubs/DummyUI.hpp"
[efd61b]52
53#include "ManipulateAtomsUnitTest.hpp"
[112f90]54
[ce7fdc]55using namespace MoleCuilder;
56
[7ca806]57#ifdef HAVE_TESTRUNNER
58#include "UnitTestMain.hpp"
59#endif /*HAVE_TESTRUNNER*/
60
[b2cfdb]61// Registers the fixture into the 'registry'
62CPPUNIT_TEST_SUITE_REGISTRATION( manipulateAtomsTest );
63
64// some stubs
65class AtomStub : public atom {
66public:
67 AtomStub(int _id) :
68 atom(),
[23b547]69 manipulated(false),
70 id(_id)
[b2cfdb]71 {}
72
[57adc7]73 virtual atomId_t getId(){
[b2cfdb]74 return id;
75 }
76
77 virtual void doSomething(){
78 manipulated = true;
79 }
80
81 bool manipulated;
82private:
[57adc7]83 atomId_t id;
[b2cfdb]84};
85
[afb47f]86class countObserver : public Observer{
87public:
88 countObserver() :
[cd5047]89 Observer("countObserver"),
[afb47f]90 count(0)
91 {}
92 virtual ~countObserver(){}
93
94 void update(Observable *){
95 count++;
96 }
97
98 void subjectKilled(Observable *)
99 {}
100
101 int count;
102};
[b2cfdb]103
104// set up and tear down
105void manipulateAtomsTest::setUp(){
[694d84]106 hasDescriptor = false;
[975a11]107 ActionHistory::init();
[23b547]108 World::getInstance();
[112f90]109 // TODO: find a way to really reset the factory to a clean state in tear-down
110 if(!hasDescriptor){
111 UIFactory::registerFactory(new DummyUIFactory::description());
112 hasDescriptor = true;
113 }
114 UIFactory::makeUserInterface("Dummy");
[b2cfdb]115 for(int i=0;i<ATOM_COUNT;++i){
116 atoms[i]= new AtomStub(i);
[23b547]117 World::getInstance().registerAtom(atoms[i]);
[b2cfdb]118 }
119}
120void manipulateAtomsTest::tearDown(){
[23b547]121 World::purgeInstance();
[628577]122 ActionQueue::purgeInstance();
[975a11]123 ActionHistory::purgeInstance();
[694d84]124 {
125 UIFactory::purgeInstance();
126 hasDescriptor = false;
127 }
[b2cfdb]128}
129
[a1510d]130static void operation(atom* _atom){
[b2cfdb]131 AtomStub *atom = dynamic_cast<AtomStub*>(_atom);
[6d574a]132 CPPUNIT_ASSERT(atom);
[b2cfdb]133 atom->doSomething();
134}
135
136
137void manipulateAtomsTest::testManipulateSimple(){
[23b547]138 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms());
[b2cfdb]139 proc->call();
[23b547]140 std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
[b2cfdb]141 std::vector<atom*>::iterator iter;
142 for(iter=allAtoms.begin();iter!=allAtoms.end();++iter){
143 AtomStub *atom;
144 atom = dynamic_cast<AtomStub*>(*iter);
[6d574a]145 CPPUNIT_ASSERT(atom);
[b2cfdb]146 CPPUNIT_ASSERT(atom->manipulated);
147 }
148}
149
150void manipulateAtomsTest::testManipulateExcluded(){
[229e3c]151
[23b547]152 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2));
[b2cfdb]153 proc->call();
[23b547]154 std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
[b2cfdb]155 std::vector<atom*>::iterator iter;
156 for(iter=allAtoms.begin();iter!=allAtoms.end();++iter){
157 AtomStub *atom;
158 atom = dynamic_cast<AtomStub*>(*iter);
[6d574a]159 CPPUNIT_ASSERT(atom);
[b2cfdb]160 if(atom->getId()!=(int)ATOM_COUNT/2)
161 CPPUNIT_ASSERT(atom->manipulated);
162 else
163 CPPUNIT_ASSERT(!atom->manipulated);
164 }
165}
166
[afb47f]167void manipulateAtomsTest::testObserver(){
168 countObserver *obs = new countObserver();
[23b547]169 World::getInstance().signOn(obs);
[6e97e5]170 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms());
[afb47f]171 proc->call();
172
173 CPPUNIT_ASSERT_EQUAL(1,obs->count);
[23b547]174 World::getInstance().signOff(obs);
[afb47f]175 delete obs;
176}
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