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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
#include <BALLTestConfig.h>
///////////////////////////
#include <BALL/ENERGY/composedEnergyProcessor.h>
#include <BALL/FORMAT/HINFile.h>
#include <BALL/KERNEL/system.h>
///////////////////////////
START_TEST(ComposedEnergyProcessor_test)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
/** Test class.
* The energy is calculated as:
* (fragment_.countAtomContainers() + 1 + change) * fragment_.countAtoms()
*/
class MyEnergyProcessor
: public EnergyProcessor
{
public:
MyEnergyProcessor()
: change(0)
{}
virtual bool start() throw()
{
number_of_fragments = 0;
return true;
}
virtual Processor::Result operator () (AtomContainer& fragment) throw()
{
number_of_fragments += 1;
EnergyProcessor::operator() (fragment);
return BALL::Processor::CONTINUE;
}
virtual bool finish() throw()
{
energy_ = fragment_->countAtoms() * (number_of_fragments + change);
return true;
}
float change;
float number_of_fragments;
};
MyEnergyProcessor* pep1;
MyEnergyProcessor* pep2;
System S;
double result(0);
CHECK(Preparations)
pep1 = new MyEnergyProcessor;
pep1->change = 1.0;
pep2 = new MyEnergyProcessor;
pep2->change = 2.0;
HINFile f(BALL_TEST_DATA_PATH(AnisotropyShiftProcessor_test.hin));
f >> S;
f.close();
TEST_EQUAL(S.apply(*pep1), true)
TEST_EQUAL(pep1->getEnergy(), (S.countAtomContainers() + 1 + 1) * S.countAtoms())
TEST_EQUAL(pep1->getEnergy(), 217)
TEST_EQUAL(S.apply(*pep2), true)
TEST_EQUAL(pep2->getEnergy(), (S.countAtomContainers() + 2 + 1) * S.countAtoms())
TEST_EQUAL(pep2->getEnergy(), 248)
result = pep1->getEnergy() + pep2->getEnergy();
RESULT
CHECK(ComposedEnergyProcessor::ComposedEnergyProcessor())
ComposedEnergyProcessor* cep = new ComposedEnergyProcessor;
TEST_NOT_EQUAL(cep, 0)
TEST_EQUAL(cep->isValid(), true)
TEST_REAL_EQUAL(cep->getEnergy(), 0)
delete cep;
RESULT
CHECK(ComposedEnergyProcessor::~ComposedEnergyProcessor())
ComposedEnergyProcessor* cep = new ComposedEnergyProcessor;
delete cep;
RESULT
ComposedEnergyProcessor cep;
CHECK(ComposedEnergyProcessor::addComponent(EnergyProcessor* proc))
cep.addComponent(pep1);
cep.addComponent(pep2);
TEST_EQUAL(cep.getNumberOfEnergyProcessors(), 2)
RESULT
CHECK(ComposedEnergyProcessor::removeComponent(EnergyProcessor* proc))
cep.removeComponent(pep2);
TEST_EQUAL(cep.getNumberOfEnergyProcessors(), 1)
cep.addComponent(pep2);
TEST_EQUAL(cep.getNumberOfEnergyProcessors(), 2)
RESULT
CHECK(ComposedEnergyProcessor::finish())
TEST_EQUAL(S.apply(cep), true)
TEST_REAL_EQUAL(cep.getEnergy(), result)
RESULT
ComposedEnergyProcessor cep2;
CHECK(ComposedEnergyProcessor::ComposedEnergyProcessor(EnergyProcessorList proc_list))
EnergyProcessorList epl;
epl.push_back((EnergyProcessor*)pep1);
epl.push_back((EnergyProcessor*)pep2);
cep2 = ComposedEnergyProcessor(epl);
TEST_EQUAL(cep2.isValid(), true)
TEST_EQUAL(cep2.getNumberOfEnergyProcessors(), 2)
S.apply(cep2);
TEST_EQUAL(cep2.isValid(), true)
TEST_REAL_EQUAL(cep2.getEnergy(), result)
RESULT
CHECK(ComposedEnergyProcessor::clear())
cep2.clear();
cep2 = cep;
TEST_REAL_EQUAL(cep2.getEnergy(), result)
cep2.clear();
TEST_REAL_EQUAL(cep2.getEnergy(), 0)
RESULT
CHECK(ComposedEnergyProcessor::ComposedEnergyProcessor& operator =
(const ComposedEnergyProcessor& proc))
cep2.clear();
cep2 = cep;
TEST_REAL_EQUAL(cep2.getEnergy(), result)
S.apply(cep2);
TEST_REAL_EQUAL(cep2.getEnergy(), result)
RESULT
CHECK(ComposedEnergyProcessor::ComposedEnergyProcessor(const ComposedEnergyProcessor& composed_energy_proc))
ComposedEnergyProcessor cep2(cep);
TEST_REAL_EQUAL(cep2.getEnergy(), result)
S.apply(cep2);
TEST_REAL_EQUAL(cep2.getEnergy(), result)
RESULT
delete pep1;
delete pep2;
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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