29#include "boost/foreach_field.hpp"
30#include "boost/core/null_deleter.hpp"
40void test(
const string& filepath,
double lockmassMz,
double lockmassTolerance)
45 bfs::path targetResultFilename = bfs::path(__FILE__).parent_path() /
"SpectrumList_LockmassRefinerTest.data" / (msd.
run.
id +
".mzML");
46 if (!bfs::exists(targetResultFilename))
47 throw runtime_error(
"test result file does not exist: " + targetResultFilename.string());
48 MSDataFile targetResult(targetResultFilename.string());
71void parseArgs(
const vector<string>& args, vector<string>& rawpaths)
73 for (
size_t i = 1; i < args.size(); ++i)
75 if (args[i] ==
"-v")
os_ = &cout;
76 else if (bal::starts_with(args[i],
"--"))
continue;
77 else rawpaths.push_back(args[i]);
82int main(
int argc,
char* argv[])
88 vector<string> args(argv, argv+argc);
89 vector<string> rawpaths;
93 for(
const string& filepath : rawpaths)
95 if (bal::ends_with(filepath,
"ATEHLSTLSEK_profile.raw"))
98 test(filepath, 684.3469, 0.1);
99 test(filepath, 0, 0.1);
104 throw runtime_error(
"did not run any tests");
void diff(const string &filename1, const string &filename2)
int main(int argc, char *argv[])
void parseArgs(const vector< string > &args, vector< string > &rawpaths)
SpectrumList implementation to replace peak profiles with picked peaks.
default ReaderList, extended to include vendor readers
boost::shared_ptr< SpectrumList > SpectrumListPtr
Calculate diffs of objects in a ProteoWizard data model hierarchy.
configuration struct for diffing MSData types
bool ignoreMetadata
ignore all file level metadata, and most scan level metadata, i.e.
MSData object plus file I/O.
Run run
a run in mzML should correspond to a single, consecutive and coherent set of scans on an instrument.
std::string id
a unique identifier for this run.
SpectrumListPtr spectrumListPtr
all mass spectra and the acquisitions underlying them are described and attached here....
#define TEST_PROLOG(argc, argv)