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// --------------------------------------------------------------------------
// OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
//
// This software is released under a three-clause BSD license:
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above copyright
// notice, this list of conditions and the following disclaimer in the
// documentation and/or other materials provided with the distribution.
// * Neither the name of any author or any participating institution
// may be used to endorse or promote products derived from this software
// without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: Hendrik Weisser $
// $Authors: Hendrik Weisser $
// --------------------------------------------------------------------------
#include <OpenMS/CONCEPT/ClassTest.h>
///////////////////////////
#include <OpenMS/DATASTRUCTURES/QTCluster.h>
///////////////////////////
START_TEST(QTCluster, "$Id: QTCluster_test.C 11348 2013-06-11 16:52:08Z timosachsenberg $")
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
using namespace OpenMS;
using namespace std;
QTCluster* qtc_ptr = 0;
QTCluster* qtc_nullPointer = 0;
BaseFeature bf;
bf.setRT(1.1);
bf.setMZ(2.2);
bf.setCharge(3);
bf.getPeptideIdentifications().resize(2);
PeptideHit hit;
hit.setSequence("AAA");
bf.getPeptideIdentifications()[0].insertHit(hit);
hit.setSequence("CCC");
bf.getPeptideIdentifications()[1].insertHit(hit);
GridFeature gf(bf, 123, 456);
START_SECTION((QTCluster(GridFeature* center_point, Size num_maps, DoubleReal max_distance, bool use_IDs)))
{
qtc_ptr = new QTCluster(&gf, 2, 11.1, false);
TEST_NOT_EQUAL(qtc_ptr, qtc_nullPointer);
}
END_SECTION
START_SECTION((~QTCluster()))
{
delete qtc_ptr;
}
END_SECTION
QTCluster cluster(&gf, 2, 11.1, true);
START_SECTION((DoubleReal getCenterRT() const))
{
TEST_EQUAL(cluster.getCenterRT(), 1.1);
}
END_SECTION
START_SECTION((DoubleReal getCenterMZ() const))
{
TEST_EQUAL(cluster.getCenterMZ(), 2.2);
}
END_SECTION
START_SECTION((Size size() const))
{
TEST_EQUAL(cluster.size(), 1);
}
END_SECTION
GridFeature gf2(bf, 789, 1011);
START_SECTION((void add(GridFeature* element, DoubleReal distance)))
{
cluster.add(&gf2, 3.3);
TEST_EQUAL(cluster.size(), 2);
}
END_SECTION
START_SECTION((bool operator<(QTCluster& cluster)))
{
QTCluster cluster2(&gf, 2, 11.1, false);
TEST_EQUAL(cluster2 < cluster, true);
}
END_SECTION
START_SECTION((void getElements(boost::unordered::unordered_map<Size, GridFeature*>& elements)))
{
boost::unordered::unordered_map<Size, GridFeature*> elements;
cluster.getElements(elements);
TEST_EQUAL(elements.size(), 2);
TEST_EQUAL(elements[123], &gf);
TEST_EQUAL(elements[789], &gf2);
}
END_SECTION
START_SECTION((bool update(const boost::unordered::unordered_map<Size, GridFeature*>& removed)))
{
boost::unordered::unordered_map<Size, GridFeature*> removed;
removed[789] = &gf2;
TEST_EQUAL(cluster.update(removed), true);
TEST_EQUAL(cluster.size(), 1);
removed[123] = &gf;
// removing the center invalidates the cluster:
TEST_EQUAL(cluster.update(removed), false);
}
END_SECTION
START_SECTION((DoubleReal getQuality()))
{
TEST_EQUAL(cluster.getQuality(), 0.0);
cluster.add(&gf2, 3.3);
TEST_EQUAL(cluster.getQuality(), (11.1 - 3.3) / 11.1);
}
END_SECTION
START_SECTION((const set<AASequence>& getAnnotations()))
{
TEST_EQUAL(cluster.getAnnotations().size(), 2);
TEST_EQUAL(*(cluster.getAnnotations().begin()), "AAA");
TEST_EQUAL(*(cluster.getAnnotations().rbegin()), "CCC");
QTCluster cluster2(&gf, 2, 11.1, false);
TEST_EQUAL(cluster2.getAnnotations().empty(), true);
}
END_SECTION
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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