39 if (
os_) *
os_ <<
"testContact()\n";
62 if (
os_) *
os_ <<
"testInstrument()\n";
85 if (
os_) *
os_ <<
"testConfiguration()\n";
110 if (
os_) *
os_ <<
"testPrediction()\n";
133 if (
os_) *
os_ <<
"testValidation()\n";
154 if (
os_) *
os_ <<
"testEvidence()\n";
175 if (
os_) *
os_ <<
"testRetentionTime()\n";
196 if (
os_) *
os_ <<
"testProtein()\n";
199 a.userParams.push_back(
UserParam(
"common"));
200 b.userParams.push_back(
UserParam(
"common"));
201 a.cvParams.push_back(
MS_m_z);
202 b.cvParams.push_back(
MS_m_z);
219 if (
os_) *
os_ <<
"testModification()\n";
222 a.location = b.location = 7;
223 a.monoisotopicMassDelta = b.monoisotopicMassDelta = 42;
224 a.averageMassDelta = b.averageMassDelta = 42;
229 a.monoisotopicMassDelta = 84;
239 if (
os_) *
os_ <<
"testPeptide()\n";
242 a.userParams.push_back(
UserParam(
"common"));
243 b.userParams.push_back(
UserParam(
"common"));
244 a.cvParams.push_back(
MS_m_z);
245 b.cvParams.push_back(
MS_m_z);
264 if (
os_) *
os_ <<
"testCompound()\n";
286 if (
os_) *
os_ <<
"testTransition()\n";
313 if (
os_) *
os_ <<
"testTarget()\n";
339 if (
os_) *
os_ <<
"testSoftware()\n";
413 if (
os_) *
os_ <<
"testTraData()\n";
420 a.
cvs.push_back(
CV());
466int main(
int argc,
char* argv[])
472 if (argc>1 && !strcmp(argv[1],
"-v"))
os_ = &cout;
void diff(const string &filename1, const string &filename2)
represents a post-translational modification (PTM) modification formula or masses must be provided at...
represents a peptide or polypeptide (a sequence of amino acids)
const std::string & sequence() const
returns the sequence of amino acids making up the peptide
MS_m_z
m/z: Three-character symbol m/z is used to denote the quantity formed by dividing the mass of an ion ...
UO_dalton
dalton: An independently to the base SI units defined mass unit which is equal to one twelfth of the ...
MS_selected_ion_m_z
selected ion m/z: Mass-to-charge ratio of an selected ion.
MS_ionization_type
ionization type: The method by which gas phase ions are generated from the sample.
MS_peak_intensity
peak intensity: Intensity of ions as measured by the height or area of a peak in a mass spectrum.
int main(int argc, char *argv[])
boost::shared_ptr< Contact > ContactPtr
boost::shared_ptr< Software > SoftwarePtr
boost::shared_ptr< Instrument > InstrumentPtr
boost::shared_ptr< Peptide > PeptidePtr
Information about an ontology or CV source and a short 'lookup' tag to refer to.
Calculate diffs of objects in a ProteoWizard data model hierarchy.
void set(CVID cvid, const std::string &value="", CVID units=CVID_Unknown)
set/add a CVParam (not recursive)
std::vector< CVParam > cvParams
a collection of controlled vocabulary terms
std::vector< UserParam > userParams
a collection of uncontrolled user terms
Uncontrolled user parameters (essentially allowing free text). Before using these,...
Chemical compound other than a peptide for which one or more transitions.
std::vector< RetentionTime > retentionTimes
List of retention time information entries.
std::string id
Identifier for the compound to be used for referencing within a document.
Instrument configuration used in the validation or optimization of the transitions.
std::vector< Validation > validations
InstrumentPtr instrumentPtr
Reference to an instrument for which this configuration information is appropriate.
ContactPtr contactPtr
Reference to a contact person originating this information.
Information about empirical mass spectrometer observations of the peptide.
Instrument on which transitions are validated.
std::string id
Identifier for the instrument to be used for referencing within a document.
Information about a prediction for a suitable transition using some software.
SoftwarePtr softwarePtr
Reference to a software package from which this prediction is derived.
ContactPtr contactPtr
Reference to a contact person that generated this prediction.
std::string id
Identifier for the publication to be used for referencing within a document.
std::string id
Identifier for the software to be used for referencing within a document.
std::string version
Version of the software program described.
A peptide or compound that is to be included or excluded from a target list of precursor m/z values.
PeptidePtr peptidePtr
Reference to a peptide for which this target is the trigger.
std::string id
String label for this target.
Precursor precursor
Precursor (Q1) of the target.
std::vector< Configuration > configurationList
List of instrument configurations used in the validation or optimization of the target.
std::vector< CV > cvs
List of controlled vocabularies used in a TraML document note: one of the <cv> elements in this list ...
std::vector< Publication > publications
List of publications from which the transitions were collected or wherein they are published.
std::vector< SoftwarePtr > softwarePtrs
List of software packages used in the generation of one of more transitions described in the document...
PeptidePtr peptidePtr
Reference to a peptide which this transition is intended to identify.
Product product
Product (Q3) of the transition.
Precursor precursor
Precursor (Q1) of the transition.
std::string id
String label for this transition.
std::vector< Configuration > configurationList
List of insutrument configurations used in the validation or optimization of the transitions.
Information about the state of validation of a transition on a given instrument model.
#define TEST_PROLOG_EX(argc, argv, suffix)