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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: Chris Bielow $
// $Authors: Chris Bielow $
// --------------------------------------------------------------------------
#include <OpenMS/CONCEPT/ClassTest.h>
///////////////////////////
#include <OpenMS/DATASTRUCTURES/MassExplainer.h>
///////////////////////////
#include <OpenMS/DATASTRUCTURES/Compomer.h>
using namespace OpenMS;
using namespace std;
START_TEST(MassExplainer, "$Id: MassExplainer_test.C 10915 2013-04-04 20:14:57Z aiche $")
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
MassExplainer* ptr = 0;
MassExplainer* nullPointer = 0;
START_SECTION(MassExplainer())
{
ptr = new MassExplainer();
TEST_NOT_EQUAL(ptr, nullPointer)
}
END_SECTION
START_SECTION(~MassExplainer())
{
delete ptr;
}
END_SECTION
START_SECTION((MassExplainer(AdductsType adduct_base)))
{
Adduct a(2, 1, 123.12, "Na", -0.5,0);
MassExplainer::AdductsType va;
va.push_back(a);
MassExplainer me(va);
TEST_EQUAL(me.getAdductBase().size(), 1);
}
END_SECTION
START_SECTION((MassExplainer(Int q_min, Int q_max, Int max_span, DoubleReal thresh_logp)))
{
MassExplainer me(5,10,2,-10.3);
TEST_EQUAL(me.getAdductBase().size(), 4);
}
END_SECTION
START_SECTION((MassExplainer(AdductsType adduct_base, Int q_min, Int q_max, Int max_span, DoubleReal thresh_logp, Size max_neutrals)))
{
MassExplainer::AdductsType va;
Adduct a1(2, 1, 123.12, "Na", -0.5,0);
Adduct a2(3, 1, 123.12, "K", -0.7,0);
va.push_back(a1);
va.push_back(a2);
MassExplainer me(va,5,10,2,-10.3,0);
TEST_EQUAL(me.getAdductBase().size(), 2);
}
END_SECTION
START_SECTION((MassExplainer& operator=(const MassExplainer &rhs)))
{
MassExplainer::AdductsType va;
Adduct a1(2, 1, 123.12, "Na", -0.5,0);
Adduct a2(3, 1, 123.12, "K", -0.7,0);
va.push_back(a1);
va.push_back(a2);
MassExplainer me(va,5,10,2,-10.3,0);
MassExplainer me2;
me2 = me;
TEST_EQUAL(me.getAdductBase().size(), 2);
}
END_SECTION
START_SECTION((void setAdductBase(AdductsType adduct_base)))
{
MassExplainer::AdductsType va;
Adduct a1(2, 1, 123.12, "Na", -0.5,0);
Adduct a2(3, 1, 123.12, "K", -0.7,0);
va.push_back(a1);
va.push_back(a2);
MassExplainer me;
me.setAdductBase(va);
TEST_EQUAL(me.getAdductBase().size(),2);
}
END_SECTION
START_SECTION((AdductsType getAdductBase() const))
{
NOT_TESTABLE; // tested above
}
END_SECTION
START_SECTION((const Compomer& getCompomerById(Size id) const))
{
MassExplainer me;
me.compute();
TEST_EQUAL(me.getCompomerById(0).getID(), 0)
}
END_SECTION
START_SECTION((void compute()))
{
NOT_TESTABLE; // tested above
}
END_SECTION
START_SECTION((SignedSize query(const Int net_charge, const float mass_to_explain, const float mass_delta, const float thresh_log_p, std::vector< Compomer >::const_iterator &firstExplanation, std::vector< Compomer >::const_iterator &lastExplanation) const))
{
MassExplainer me;
me.compute();
MassExplainer::CompomerIterator s,e;
SignedSize hits = me.query(2, 45.0, 13.0, -100000,s,e);
std::cout << "hits: " << hits << std::endl;
for (; s!=e; ++s)
{
std::cout << *s << std::endl;
}
TEST_EQUAL(hits, 5);
}
END_SECTION
/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST
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