source: src/unittests/manipulateAtomsTest.cpp@ e5c0a1

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 e5c0a1 was 112f90, checked in by Tillmann Crueger <crueger@…>, 14 years ago

Fixed ActionSequenceTest and ManipulateAtomsTest

  • Property mode set to 100644
File size: 3.5 KB
Line 
1/*
2 * manipulateAtomsTest.cpp
3 *
4 * Created on: Feb 18, 2010
5 * Author: crueger
6 */
7
8#include "manipulateAtomsTest.hpp"
9
10#include <cppunit/CompilerOutputter.h>
11#include <cppunit/extensions/TestFactoryRegistry.h>
12#include <cppunit/ui/text/TestRunner.h>
13#include <iostream>
14#include <boost/bind.hpp>
15
16#include "Descriptors/AtomDescriptor.hpp"
17#include "Descriptors/AtomIdDescriptor.hpp"
18#include "Actions/ManipulateAtomsProcess.hpp"
19#include "Actions/ActionRegistry.hpp"
20#include "Actions/ActionHistory.hpp"
21
22#include "World.hpp"
23#include "atom.hpp"
24
25#include "DummyUI.hpp"
26
27#ifdef HAVE_TESTRUNNER
28#include "UnitTestMain.hpp"
29#endif /*HAVE_TESTRUNNER*/
30
31// Registers the fixture into the 'registry'
32CPPUNIT_TEST_SUITE_REGISTRATION( manipulateAtomsTest );
33
34// some stubs
35class AtomStub : public atom {
36public:
37 AtomStub(int _id) :
38 atom(),
39 manipulated(false),
40 id(_id)
41 {}
42
43 virtual atomId_t getId(){
44 return id;
45 }
46
47 virtual void doSomething(){
48 manipulated = true;
49 }
50
51 bool manipulated;
52private:
53 atomId_t id;
54};
55
56class countObserver : public Observer{
57public:
58 countObserver() :
59 Observer("countObserver"),
60 count(0)
61 {}
62 virtual ~countObserver(){}
63
64 void update(Observable *){
65 count++;
66 }
67
68 void subjectKilled(Observable *)
69 {}
70
71 int count;
72};
73
74// set up and tear down
75void manipulateAtomsTest::setUp(){
76 static bool hasDescriptor = false;
77 ActionHistory::init();
78 World::getInstance();
79 // TODO: find a way to really reset the factory to a clean state in tear-down
80 if(!hasDescriptor){
81 UIFactory::registerFactory(new DummyUIFactory::description());
82 hasDescriptor = true;
83 }
84 UIFactory::makeUserInterface("Dummy");
85 for(int i=0;i<ATOM_COUNT;++i){
86 atoms[i]= new AtomStub(i);
87 World::getInstance().registerAtom(atoms[i]);
88 }
89}
90void manipulateAtomsTest::tearDown(){
91 World::purgeInstance();
92 ActionRegistry::purgeInstance();
93 ActionHistory::purgeInstance();
94 UIFactory::purgeInstance();
95}
96
97static void operation(atom* _atom){
98 AtomStub *atom = dynamic_cast<AtomStub*>(_atom);
99 CPPUNIT_ASSERT(atom);
100 atom->doSomething();
101}
102
103
104void manipulateAtomsTest::testManipulateSimple(){
105 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms());
106 proc->call();
107 std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
108 std::vector<atom*>::iterator iter;
109 for(iter=allAtoms.begin();iter!=allAtoms.end();++iter){
110 AtomStub *atom;
111 atom = dynamic_cast<AtomStub*>(*iter);
112 CPPUNIT_ASSERT(atom);
113 CPPUNIT_ASSERT(atom->manipulated);
114 }
115}
116
117void manipulateAtomsTest::testManipulateExcluded(){
118
119 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms() && !AtomById(ATOM_COUNT/2));
120 proc->call();
121 std::vector<atom*> allAtoms = World::getInstance().getAllAtoms(AllAtoms());
122 std::vector<atom*>::iterator iter;
123 for(iter=allAtoms.begin();iter!=allAtoms.end();++iter){
124 AtomStub *atom;
125 atom = dynamic_cast<AtomStub*>(*iter);
126 CPPUNIT_ASSERT(atom);
127 if(atom->getId()!=(int)ATOM_COUNT/2)
128 CPPUNIT_ASSERT(atom->manipulated);
129 else
130 CPPUNIT_ASSERT(!atom->manipulated);
131 }
132}
133
134void manipulateAtomsTest::testObserver(){
135 countObserver *obs = new countObserver();
136 World::getInstance().signOn(obs);
137 ManipulateAtomsProcess *proc = World::getInstance().manipulateAtoms(boost::bind(operation,_1),"FOO",AllAtoms());
138 proc->call();
139
140 CPPUNIT_ASSERT_EQUAL(1,obs->count);
141 World::getInstance().signOff(obs);
142 delete obs;
143}
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