1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
|
// --------------------------------------------------------------------------
// 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: Lars Nilse $
// $Authors: Bastian Blank $
// --------------------------------------------------------------------------
#include <OpenMS/CONCEPT/ClassTest.h>
#include <OpenMS/FILTERING/DATAREDUCTION/IsotopeDistributionCache.h>
using namespace OpenMS;
START_TEST(IsotopeDistributionCache, "$Id: IsotopeDistributionCache_test.C 10915 2013-04-04 20:14:57Z aiche $")
START_SECTION(IsotopeDistributionCache(DoubleReal max_mass, DoubleReal mass_window_width, DoubleReal intensity_percentage=0, DoubleReal intensity_percentage_optional=0))
IsotopeDistributionCache c(100, 1);
END_SECTION
START_SECTION(const TheoreticalIsotopePattern& getIsotopeDistribution(DoubleReal mass) const)
IsotopeDistributionCache c(1000, 10);
const IsotopeDistributionCache::TheoreticalIsotopePattern &p(c.getIsotopeDistribution(500));
TEST_REAL_SIMILAR(p.intensity[0], 1);
TEST_REAL_SIMILAR(p.intensity[1], 0.2668);
TEST_REAL_SIMILAR(p.intensity[2], 0.04864);
TEST_REAL_SIMILAR(p.intensity[3], 0.006652);
TEST_EQUAL(&p == &c.getIsotopeDistribution(509.9), true);
TEST_EQUAL(&p != &c.getIsotopeDistribution(510.0), true);
TEST_EQUAL(&p != &c.getIsotopeDistribution(499.9), true);
END_SECTION
END_TEST
|
