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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: Andreas Bertsch $
// $Authors: $
// --------------------------------------------------------------------------
//
#include <OpenMS/COMPARISON/SPECTRA/SpectrumPrecursorComparator.h>
#include <cmath>
using namespace std;
namespace OpenMS
{
SpectrumPrecursorComparator::SpectrumPrecursorComparator() :
PeakSpectrumCompareFunctor()
{
setName(SpectrumPrecursorComparator::getProductName());
defaults_.setValue("window", 2, "Allowed deviation between precursor peaks.");
defaultsToParam_();
}
SpectrumPrecursorComparator::SpectrumPrecursorComparator(const SpectrumPrecursorComparator & source) :
PeakSpectrumCompareFunctor(source)
{
}
SpectrumPrecursorComparator::~SpectrumPrecursorComparator()
{
}
SpectrumPrecursorComparator & SpectrumPrecursorComparator::operator=(const SpectrumPrecursorComparator & source)
{
if (this != &source)
{
PeakSpectrumCompareFunctor::operator=(source);
}
return *this;
}
double SpectrumPrecursorComparator::operator()(const PeakSpectrum & spec) const
{
return operator()(spec, spec);
}
double SpectrumPrecursorComparator::operator()(const PeakSpectrum & x, const PeakSpectrum & y) const
{
double window = (double)param_.getValue("window");
DoubleReal mz1 = 0.0;
if (!x.getPrecursors().empty())
mz1 = x.getPrecursors()[0].getMZ();
DoubleReal mz2 = 0.0;
if (!y.getPrecursors().empty())
mz2 = y.getPrecursors()[0].getMZ();
if (fabs(mz1 - mz2) > window)
{
return 0;
}
return window - fabs(mz1 - mz2);
}
}
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