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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
#include <BALL/CONCEPT/classTest.h>
///////////////////////////
#include <BALL/NMR/clearShiftProcessor.h>
#include <BALL/KERNEL/system.h>
#include <BALL/KERNEL/molecule.h>
#include <BALL/KERNEL/atom.h>
///////////////////////////
START_TEST(ClearShiftProcessor)
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace BALL;
ClearShiftProcessor* sp = 0;
CHECK(ClearShiftProcessor::ClearShiftProcessor() throw())
sp = new ClearShiftProcessor;
TEST_NOT_EQUAL(sp, 0)
RESULT
CHECK(ClearShiftProcessor::~ClearShiftProcessor() throw())
delete sp;
RESULT
System S;
Molecule molecule;
S.insert(molecule);
Atom atom1;
Atom atom2;
Atom atom3;
molecule.insert(atom1);
molecule.insert(atom2);
molecule.insert(atom3);
CHECK(shift assignment)
AtomIterator atom_it = S.beginAtom();
Position i = 0;
for (; +atom_it; ++atom_it)
{
atom_it->setProperty(ShiftModule::PROPERTY__SHIFT, float(i));
TEST_EQUAL(atom_it->hasProperty(ShiftModule::PROPERTY__SHIFT), true)
i++;
}
RESULT
CHECK(ClearShiftProcessor::Processor::Result operator () (Composite& composite) throw())
ClearShiftProcessor sp;
Atom a1;
sp(a1);
TEST_EQUAL(a1.hasProperty(ShiftModule::PROPERTY__SHIFT), false)
a1.setProperty(ShiftModule::PROPERTY__SHIFT, 12.34);
TEST_EQUAL(a1.hasProperty(ShiftModule::PROPERTY__SHIFT), true)
TEST_REAL_EQUAL(a1.getProperty(ShiftModule::PROPERTY__SHIFT).getFloat(), 12.34)
sp(a1);
TEST_EQUAL(a1.hasProperty(ShiftModule::PROPERTY__SHIFT), false);
RESULT
CHECK(apply)
ClearShiftProcessor sp;
TEST_EQUAL(S.countAtoms(), 3)
S.apply(sp);
AtomIterator atom_it = S.beginAtom();
for (; +atom_it; ++atom_it)
{
TEST_EQUAL(atom_it->hasProperty(ShiftModule::PROPERTY__SHIFT), false)
TEST_EQUAL(atom_it->getProperty(ShiftModule::PROPERTY__SHIFT).getFloat(), 0)
}
RESULT
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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