/****************************************************************************
* 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 PILmolecule... *
* *
****************************************************************************/
/****************************************************************************
* 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: isotopeDistributionTests.cs *
* TYPE: CSHARP *
* *
* CREATED: PM 2008-01-29 Vrs 1.0. *
* UPDATED: PM 2008-xx-xx *
* *
* *
* *
****************************************************************************/
using System;
using System.Collections.Generic;
using System.Text;
using NUnit.Framework;
using massSpectrometryBase;
//What namespace to use?
/****************************************************************************
* <placeholder for header> *
****************************************************************************/
namespace namespacePILmoleculeTests
{
/****************************************************************************
* <placeholder for header> *
****************************************************************************/
[TestFixture]
public class PILmoleculeTests
{
/****************************************************************************
* <placeholder for header> *
****************************************************************************/
[Test]
public void aminoAcids()
{
PILperiodicTable periTable = new PILperiodicTable(-7);
PILmolecule Arg =
new PILmolecule("mol1", 6, 12, 4, 1, 0, 0, 0, ref periTable);
double tol = 1.0E-9;
double argMass = Arg.mass();
Assert.AreEqual(
argMass, 156.101111058, tol, "Arginine mass is not 156 Da.");
} //aminoAcids
} //class PILmoleculeTests
} //namespace namespacePILmoleculeTests
Generated by script codePublish.pl at 2009-01-05T15:20:59.