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() /
"ChromatogramList_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 for(
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);
ChromatogramListPtr chromatogramListPtr
all chromatograms for this run.
bool ignoreMetadata
ignore all file level metadata, and most scan level metadata, i.e.
boost::shared_ptr< ChromatogramList > ChromatogramListPtr
int main(int argc, char *argv[])
Calculate diffs of objects in a ProteoWizard data model hierarchy.
default ReaderList, extended to include vendor readers
std::string id
a unique identifier for this run.
void diff(const string &filename1, const string &filename2)
Run run
a run in mzML should correspond to a single, consecutive and coherent set of scans on an instrument...
MSData object plus file I/O.
configuration struct for diffing MSData types
void parseArgs(const vector< string > &args, vector< string > &rawpaths)
void test(const string &filepath, double lockmassMz, double lockmassTolerance)
#define TEST_PROLOG(argc, argv)
ChromatogramList implementation to replace peak profiles with picked peaks.