29 #include "boost/foreach_field.hpp" 30 #include "boost/core/null_deleter.hpp" 40 void 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());
71 void 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]);
82 int main(
int argc,
char* argv[])
88 vector<string> args(argv, argv+argc);
89 vector<string> rawpaths;
92 BOOST_FOREACH(
const string& filepath, rawpaths)
94 if (bal::ends_with(filepath,
"091204_NFDM_008.raw"))
96 test(filepath, 615.38, 0.1);
97 test(filepath, 0, 0.1);
bool ignoreMetadata
ignore all file level metadata, and most scan level metadata, i.e.
Calculate diffs of objects in a ProteoWizard data model hierarchy.
SpectrumList implementation to replace peak profiles with picked peaks.
default ReaderList, extended to include vendor readers
std::string id
a unique identifier for this run.
void diff(const string &filename1, const string &filename2)
void test(const string &filepath, double lockmassMz, double lockmassTolerance)
Run run
a run in mzML should correspond to a single, consecutive and coherent set of scans on an instrument...
boost::shared_ptr< SpectrumList > SpectrumListPtr
MSData object plus file I/O.
configuration struct for diffing MSData types
SpectrumListPtr spectrumListPtr
all mass spectra and the acquisitions underlying them are described and attached here. Subsidiary data arrays are also both described and attached here.
void parseArgs(const vector< string > &args, vector< string > &rawpaths)
#define TEST_PROLOG(argc, argv)
int main(int argc, char *argv[])