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  • Committer: Package Import Robot
  • Author(s): Filippo Rusconi
  • Date: 2012-11-12 15:58:12 UTC
  • Revision ID: package-import@ubuntu.com-20121112155812-vr15wtg9b50cuesg
Tags: upstream-1.9.0
Import upstream version 1.9.0

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source/CHEMISTRY/WeightWrapper.C
 
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// -*- mode: C++; tab-width: 2; -*-
 
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// vi: set ts=2:
 
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//
 
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// --------------------------------------------------------------------------
 
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//                   OpenMS Mass Spectrometry Framework
 
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// --------------------------------------------------------------------------
 
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//  Copyright (C) 2003-2011 -- Oliver Kohlbacher, Knut Reinert
 
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//
 
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//  This library is free software; you can redistribute it and/or
 
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//  modify it under the terms of the GNU Lesser General Public
 
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//  License as published by the Free Software Foundation; either
 
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//  version 2.1 of the License, or (at your option) any later version.
 
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//
 
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//  This library is distributed in the hope that it will be useful,
 
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//  but WITHOUT ANY WARRANTY; without even the implied warranty of
 
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//  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
 
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//  Lesser General Public License for more details.
 
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//
 
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//  You should have received a copy of the GNU Lesser General Public
 
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//  License along with this library; if not, write to the Free Software
 
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//  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
 
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//
 
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// --------------------------------------------------------------------------
 
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// $Maintainer: Chris Bielow $
 
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// $Authors: Chris Bielow $
 
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// --------------------------------------------------------------------------
 
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#include <OpenMS/CHEMISTRY/WeightWrapper.h>
 
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namespace OpenMS{
 
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        WeightWrapper::WeightWrapper()
 
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        :weight_mode_(MONO)
 
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        {
 
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        }
 
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        WeightWrapper::WeightWrapper(const WEIGHTMODE weight_mode)
 
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        :weight_mode_(weight_mode)
 
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        {
 
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        }
 
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        WeightWrapper::WeightWrapper(const WeightWrapper& source)
 
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         : weight_mode_(source.weight_mode_) 
 
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        {
 
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        }
 
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        WeightWrapper::~WeightWrapper()
 
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        {
 
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        }
 
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        void WeightWrapper::setWeightMode(const WEIGHTMODE mode)
 
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        {
 
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                if (mode >= WeightWrapper::SIZE_OF_WEIGHTMODE) throw Exception::IllegalArgument(__FILE__, __LINE__, __PRETTY_FUNCTION__, "setWeightMode() received illegal 'mode' value!");
 
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                weight_mode_ = mode;
 
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        }
 
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        WeightWrapper::WEIGHTMODE WeightWrapper::getWeightMode() const
 
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        {
 
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                return weight_mode_;
 
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        }
 
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        DoubleReal WeightWrapper::getWeight(const AASequence& aa) const
 
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        {
 
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                if (weight_mode_==WeightWrapper::MONO) return aa.getMonoWeight();
 
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                else return aa.getAverageWeight();
 
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        }
 
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        DoubleReal WeightWrapper::getWeight(const EmpiricalFormula& ef) const
 
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        {
 
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                if (weight_mode_==WeightWrapper::MONO) return ef.getMonoWeight();
 
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                else return ef.getAverageWeight();
 
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        }
 
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        DoubleReal WeightWrapper::getWeight(const Residue& r, Residue::ResidueType res_type) const
 
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        {
 
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                if (weight_mode_==WeightWrapper::MONO) return r.getMonoWeight(res_type);
 
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                else return r.getAverageWeight(res_type);
 
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        }
 
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}