ProteoWizard
Functions | Variables
SpectrumInfoTest.cpp File Reference
#include "SpectrumInfo.hpp"
#include "pwiz/data/msdata/examples.hpp"
#include "pwiz/utility/misc/unit.hpp"
#include "pwiz/utility/misc/Std.hpp"
#include <cstring>

Go to the source code of this file.

Functions

void test ()
 
int main (int argc, char *argv[])
 

Variables

ostream * os_ = 0
 
const double epsilon_ = 1e-6
 

Function Documentation

◆ test()

void test ( )

Definition at line 40 of file SpectrumInfoTest.cpp.

41 {
42  if (os_) *os_ << "test()\n";
43 
44  MSData tiny;
46 
47  SpectrumInfo info;
48  info.update(*tiny.run.spectrumListPtr->spectrum(0));
49 
50  unit_assert(info.index == 0);
51  unit_assert(info.id == "scan=19");
52  unit_assert(info.scanNumber == 19);
54  unit_assert(info.msLevel == 1);
56  unit_assert_equal(info.mzLow, 400.39, epsilon_);
57  unit_assert_equal(info.mzHigh, 1795.56, epsilon_);
58  unit_assert(info.precursors.empty());
59 
60  info.update(*tiny.run.spectrumListPtr->spectrum(0), true);
61  unit_assert(info.data.size() == 15);
62 
63  info.update(*tiny.run.spectrumListPtr->spectrum(0), false);
64  unit_assert(info.data.size() == 0);
65  unit_assert(info.data.capacity() == 0);
66 
67  info.update(*tiny.run.spectrumListPtr->spectrum(1), true);
68  unit_assert(info.index == 1);
69  unit_assert(info.id == "scan=20");
70  unit_assert(info.scanNumber == 20);
72  unit_assert(info.msLevel == 2);
74  unit_assert_equal(info.mzLow, 320.39, epsilon_);
75  unit_assert_equal(info.mzHigh, 1003.56, epsilon_);
76  unit_assert(info.precursors.size() == 1);
77  unit_assert(info.precursors[0].index == 0);
78  unit_assert_equal(info.precursors[0].mz, 445.34, epsilon_);
79  unit_assert_equal(info.precursors[0].intensity, 120053, epsilon_);
80  unit_assert(info.precursors[0].charge == 2);
81  unit_assert(info.data.size() == 10);
82 
83  info.clearBinaryData();
84  unit_assert(info.data.size() == 0);
85  unit_assert(info.data.capacity() == 0);
86 
87  if (os_) *os_ << "ok\n";
88 }

References pwiz::msdata::SpectrumInfo::clearBinaryData(), pwiz::msdata::SpectrumInfo::data, epsilon_, pwiz::msdata::SpectrumInfo::id, pwiz::msdata::SpectrumInfo::index, pwiz::identdata::examples::initializeTiny(), pwiz::msdata::SpectrumInfo::massAnalyzerType, MS_QIT, pwiz::msdata::SpectrumInfo::msLevel, pwiz::msdata::SpectrumInfo::mzHigh, pwiz::msdata::SpectrumInfo::mzLow, os_, pwiz::msdata::SpectrumInfo::precursors, pwiz::msdata::SpectrumInfo::retentionTime, pwiz::msdata::MSData::run, pwiz::msdata::SpectrumInfo::scanNumber, pwiz::msdata::Run::spectrumListPtr, unit_assert, unit_assert_equal, and pwiz::msdata::SpectrumInfo::update().

Referenced by main().

◆ main()

int main ( int  argc,
char *  argv[] 
)

Definition at line 91 of file SpectrumInfoTest.cpp.

92 {
93  TEST_PROLOG(argc, argv)
94 
95  try
96  {
97  if (argc>1 && !strcmp(argv[1],"-v")) os_ = &cout;
98  test();
99  }
100  catch (exception& e)
101  {
102  TEST_FAILED(e.what())
103  }
104  catch (...)
105  {
106  TEST_FAILED("Caught unknown exception.")
107  }
108 
110 }

References os_, test(), TEST_EPILOG, TEST_FAILED, and TEST_PROLOG.

Variable Documentation

◆ os_

ostream* os_ = 0

Definition at line 36 of file SpectrumInfoTest.cpp.

Referenced by main(), and test().

◆ epsilon_

const double epsilon_ = 1e-6

Definition at line 37 of file SpectrumInfoTest.cpp.

Referenced by test().

pwiz::msdata::SpectrumInfo
simple structure for holding Spectrum info
Definition: SpectrumInfo.hpp:37
unit_assert_equal
#define unit_assert_equal(x, y, epsilon)
Definition: unit.hpp:99
MS_QIT
MS_QIT
QIT (quadrupole ion trap): Quadrupole Ion Trap mass analyzer captures the ions in a three dimensional...
Definition: cv.hpp:552
test
void test()
Definition: SpectrumInfoTest.cpp:40
pwiz::msdata::SpectrumInfo::massAnalyzerType
CVID massAnalyzerType
Definition: SpectrumInfo.hpp:53
pwiz::msdata::SpectrumInfo::index
size_t index
Definition: SpectrumInfo.hpp:50
pwiz::msdata::MSData::run
Run run
a run in mzML should correspond to a single, consecutive and coherent set of scans on an instrument.
Definition: MSData.hpp:886
pwiz::msdata::SpectrumInfo::msLevel
int msLevel
Definition: SpectrumInfo.hpp:55
pwiz::msdata::SpectrumInfo::retentionTime
double retentionTime
Definition: SpectrumInfo.hpp:57
pwiz::msdata::SpectrumInfo::id
std::string id
Definition: SpectrumInfo.hpp:51
pwiz::msdata::SpectrumInfo::clearBinaryData
void clearBinaryData()
TEST_EPILOG
#define TEST_EPILOG
Definition: unit.hpp:183
pwiz::msdata::SpectrumInfo::mzLow
double mzLow
Definition: SpectrumInfo.hpp:59
pwiz::identdata::examples::initializeTiny
PWIZ_API_DECL void initializeTiny(IdentData &mzid)
pwiz::msdata::SpectrumInfo::scanNumber
int scanNumber
Definition: SpectrumInfo.hpp:52
os_
ostream * os_
Definition: SpectrumInfoTest.cpp:36
pwiz::msdata::Run::spectrumListPtr
SpectrumListPtr spectrumListPtr
all mass spectra and the acquisitions underlying them are described and attached here....
Definition: MSData.hpp:827
TEST_FAILED
#define TEST_FAILED(x)
Definition: unit.hpp:177
TEST_PROLOG
#define TEST_PROLOG(argc, argv)
Definition: unit.hpp:175
epsilon_
const double epsilon_
Definition: SpectrumInfoTest.cpp:37
pwiz::msdata::SpectrumInfo::precursors
std::vector< PrecursorInfo > precursors
Definition: SpectrumInfo.hpp:66
pwiz::msdata::MSData
This is the root element of ProteoWizard; it represents the mzML element, defined as: intended to cap...
Definition: MSData.hpp:849
pwiz::msdata::SpectrumInfo::mzHigh
double mzHigh
Definition: SpectrumInfo.hpp:60
unit_assert
#define unit_assert(x)
Definition: unit.hpp:85
pwiz::msdata::SpectrumInfo::data
std::vector< MZIntensityPair > data
Definition: SpectrumInfo.hpp:68
pwiz::msdata::SpectrumInfo::update
void update(const Spectrum &spectrum, bool getBinaryData=false)