File: IsobaricQuantitationMethod_test.C

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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.
// 
// --------------------------------------------------------------------------
// $Maintainer: Stephan Aiche$
// $Authors: Stephan Aiche$
// --------------------------------------------------------------------------

#include <OpenMS/CONCEPT/ClassTest.h>

///////////////////////////
#include <OpenMS/ANALYSIS/QUANTITATION/IsobaricQuantitationMethod.h>
///////////////////////////

using namespace OpenMS;
using namespace std;

class TestQuantitationMethod : 
  public IsobaricQuantitationMethod
{
public:
  IsobaricChannelList channel_list;
  String name;
  StringList correction_list;
  
  TestQuantitationMethod()
  {
    setName("TestQuantitationMethod");
    channel_list.push_back(IsobaricChannelInformation(114, 0, "", 114.1112));
    channel_list.push_back(IsobaricChannelInformation(115, 1, "", 115.1082));
    channel_list.push_back(IsobaricChannelInformation(116, 2, "", 116.1116));
    channel_list.push_back(IsobaricChannelInformation(117, 3, "", 117.1149));    
    name = "TestQuantitationMethod";
  }
  
  virtual ~TestQuantitationMethod()
  {}
  
  const String& getName() const
  {
    return name;
  }
  
  const IsobaricChannelList& getChannelInformation() const
  {
    return channel_list;
  }
  
  Size getNumberOfChannels() const
  {
    return 4;
  }
  
  Matrix<double> getIsotopeCorrectionMatrix() const
  {
    return stringListToIsotopCorrectionMatrix_(correction_list);
  }
  
  Size getReferenceChannel() const
  {
    return 0;
  }
};


START_TEST(IsobaricQuantitationMethod, "$Id: IsobaricQuantitationMethod_test.C 11266 2013-05-21 08:12:56Z aiche $")

/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////

IsobaricQuantitationMethod* ptr = 0;
IsobaricQuantitationMethod* null_ptr = 0;
START_SECTION(IsobaricQuantitationMethod())
{
	ptr = new TestQuantitationMethod();
	TEST_NOT_EQUAL(ptr, null_ptr)
}
END_SECTION

START_SECTION(~IsobaricQuantitationMethod())
{
	delete ptr;
}
END_SECTION

START_SECTION((virtual const String& getName() const =0))
{
  IsobaricQuantitationMethod* quant_method = new TestQuantitationMethod();
  TEST_STRING_EQUAL(quant_method->getName(), "TestQuantitationMethod")
}
END_SECTION

START_SECTION((virtual const IsobaricChannelList& getChannelInformation() const =0))
{
  IsobaricQuantitationMethod* quant_method = new TestQuantitationMethod();
  IsobaricQuantitationMethod::IsobaricChannelList cl = quant_method->getChannelInformation();
  TEST_EQUAL(cl.size(), 4)
  ABORT_IF(cl.size() != 4)
    
  TEST_STRING_EQUAL(cl[0].description, "")
  TEST_EQUAL(cl[0].name, 114)
  TEST_EQUAL(cl[0].id, 0)
  TEST_EQUAL(cl[0].center, 114.1112)
}
END_SECTION

START_SECTION((virtual Size getNumberOfChannels() const =0))
{
  IsobaricQuantitationMethod* quant_method = new TestQuantitationMethod();
  TEST_EQUAL(quant_method->getNumberOfChannels(), 4)
}
END_SECTION

START_SECTION((virtual Matrix<double> getIsotopeCorrectionMatrix() const =0))
{
  TestQuantitationMethod* quant_method = new TestQuantitationMethod();
  quant_method->correction_list = StringList::create("0.0/1.0/5.9/0.2,0.0/2.0/5.6/0.1,0.0/3.0/4.5/0.1,0.1/4.0/3.5/0.1");
  Matrix<double> m = quant_method->getIsotopeCorrectionMatrix();
  
  ABORT_IF(m.rows() != 4)
  ABORT_IF(m.cols() != 4)
  
  double real_m[4][4] = {{0.929, 0.02, 0, 0},
    {0.059, 0.923, 0.03, 0.001},
    {0.002, 0.056, 0.924, 0.04},
    {0, 0.001, 0.045, 0.923}};
  
  for(Matrix<double>::SizeType i = 0; i < m.rows(); ++i)
  {
    for(Matrix<double>::SizeType j = 0; j < m.cols(); ++j)
    {
      TEST_REAL_SIMILAR(real_m[i][j], m(i,j))
    }
  }
    
  quant_method->correction_list = StringList::create("0.0/1.0/10.9/0.2,0.0/2.0/5.6/0.6,0.0/10.0/4.5/0.1,0.1/4.0/3.5/0.1");
  m = quant_method->getIsotopeCorrectionMatrix();
  
  ABORT_IF(m.rows() != 4)
  ABORT_IF(m.cols() != 4)
  
  double real_m2[4][4] = {{0.879, 0.02, 0, 0}, 
    {0.109, 0.918, 0.1, 0.001}, 
    {0.002, 0.056, 0.854, 0.04}, 
    {0, 0.006, 0.045, 0.923}}; 
  
  for(Matrix<double>::SizeType i = 0; i < m.rows(); ++i)
  {
    for(Matrix<double>::SizeType j = 0; j < m.cols(); ++j)
    {
      TEST_REAL_SIMILAR(real_m2[i][j], m(i,j))
    }
  }
  
}
END_SECTION

START_SECTION((virtual Size getReferenceChannel() const =0))
{
  IsobaricQuantitationMethod* quant_method = new TestQuantitationMethod();
  TEST_EQUAL(quant_method->getReferenceChannel(), 0)
}
END_SECTION

START_SECTION(([IsobaricQuantitationMethod::IsobaricChannelInformation] IsobaricChannelInformation(const Int name, const Int id, const String &description, const Peak2D::CoordinateType &center)))
{
  IsobaricQuantitationMethod::IsobaricChannelInformation cI(114, 0, "", 114.1112);
  TEST_STRING_EQUAL(cI.description, "")
  TEST_EQUAL(cI.name, 114)
  TEST_EQUAL(cI.id, 0)
  TEST_EQUAL(cI.center, 114.1112)  
}
END_SECTION


/////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////
END_TEST