/****************************************************************************
* Copyright (C) 2008 Peter Mortensen and Matthias Mann *
* This file is part of MSQuant. *
* *
* MSQuant is distributed under the terms of *
* the GNU General Public License. See src/COPYING.TXT or *
* <http://www.gnu.org/licenses/gpl.txt> for details. *
* *
* MSQuant is free software; you can redistribute it *
* and/or modify it under the terms of the GNU *
* General Public License as published by the Free *
* Software Foundation; either version 2 of the *
* License, or (at your option) any later version. *
* *
* MSQuant is distributed in the hope that it will be *
* useful, but WITHOUT ANY WARRANTY; without even the *
* implied warranty of MERCHANTABILITY or FITNESS FOR *
* A PARTICULAR PURPOSE. See the GNU General Public *
* License for more details. *
* *
* You should have received a copy of the GNU General *
* Public License along with MSQuant; if not, write to *
* the Free Software Foundation, Inc., 59 Temple *
* Place, Suite 330, Boston, MA 02111-1307 USA *
* *
* Purpose: Unit testing of class PILmassCalc. *
* *
****************************************************************************/
/****************************************************************************
* CEBI *
* Software Development Group *
* Peter Mortensen *
* E-mail: NUKESPAMMERSdrmortensen@get2netZZZZZZ.dk *
* WWW: http://www.cebi.sdu.dk/ *
* *
* Program for post-processing of result from search in mass *
* spectrometric data. *
* *
* FILENAME: PILmassCalcTests.cs *
* TYPE: CSHARP *
* *
* CREATED: PM 2008-02-28 Vrs 1.0. *
* UPDATED: PM 2008-xx-xx *
* *
* *
* *
****************************************************************************/
//using System;
//using System.Collections.Generic;
//using System.Text;
using NUnit.Framework;
using massSpectrometryBase; //For PILmassCalc.
//What namespace to use?
/****************************************************************************
* <placeholder for header> *
****************************************************************************/
namespace namespaceForPILmassCalcTests
{
/****************************************************************************
* <placeholder for header> *
****************************************************************************/
[TestFixture]
public class PILmassCalcTests
{
/****************************************************************************
* <placeholder for header> *
****************************************************************************/
[Test]
public void chargeTransforms2()
{
double tol = 1.0E-6;
{
//Fix later: failure on an insignificant level, 2e-5 (because
//we changed the proton mass slightly?):
// "namespaceForPILmassCalcTests.PILmassCalcTests.chargeTransforms2 :
// Expected: 1625.7720575450001d +/-
// 9.9999999999999995E-07d But was:
// 1625.77207178d
double neu1 = PILmassCalc.chargeTransform(1626.779334, 1, 0);
//Changed PM_UNITTEST_PASS 2008-07-24
//Now uses expected value computed by spreadsheets.
//Assert.AreEqual(neu1, 1625.77207178, tol, "");
Assert.AreEqual(neu1, 1625.77205755, tol, "");
}
{
double charged3 = PILmassCalc.chargeTransform(1626.779334, 1, 3);
//Changed PM_UNITTEST_PASS 2008-07-24
//Now uses expected value computed by spreadsheets.
//Assert.AreEqual(charged3, 542.93128663, tol, "");
Assert.AreEqual(charged3, 542.93129564, tol, "");
}
{
double charged1 = PILmassCalc.chargeTransform(542.93128663, 3, 1);
//Changed PM_UNITTEST_PASS 2008-07-24
//Now uses expected value computed by spreadsheets.
//Assert.AreEqual(charged1, 1626.779334, tol, "");
Assert.AreEqual(charged1, 1626.77930698, tol, "");
}
{
double charged3b = PILmassCalc.chargeTransform(1625.77207178, 0, 3);
//Changed PM_UNITTEST_PASS 2008-07-24
//Now uses expected value computed by spreadsheets.
//Assert.AreEqual(charged3b, 542.93128663, tol, "");
Assert.AreEqual(charged3b, 542.931300382, tol, "");
}
} //chargeTransforms2
} //class PILmassCalcTests
} //namespace namespaceForPILmassCalcTests
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