Chemical compound other than a peptide for which one or more transitions. More...
#include <TraData.hpp>
Inheritance diagram for pwiz::tradata::Compound:
Public Member Functions | |
| Compound (const std::string &id="") | |
| bool | empty () const |
| returns true iff all members are empty and contain no params | |
 Public Member Functions inherited from pwiz::data::ParamContainer | |
| CVParam | cvParam (CVID cvid) const |
| finds cvid in the container: | |
| CVParam | cvParamChild (CVID cvid) const |
| finds child of cvid in the container: | |
| std::vector< CVParam > | cvParamChildren (CVID cvid) const |
| finds all children of cvid in the container: | |
| bool | hasCVParam (CVID cvid) const |
| returns true iff cvParams contains exact cvid (recursive) | |
| bool | hasCVParamChild (CVID cvid) const |
| returns true iff cvParams contains a child (is_a) of cvid (recursive) | |
| UserParam | userParam (const std::string &) const |
| finds UserParam with specified name | |
| void | set (CVID cvid, const std::string &value="", CVID units=CVID_Unknown) |
| set/add a CVParam (not recursive) | |
| void | set (CVID cvid, double value, CVID units=CVID_Unknown) |
| set/add a CVParam (not recursive) | |
| void | set (CVID cvid, int value, CVID units=CVID_Unknown) |
| set/add a CVParam (not recursive) | |
| template<typename value_type > | |
| void | set (CVID cvid, value_type value, CVID units=CVID_Unknown) |
| set/add a CVParam (not recursive) | |
| void | clear () |
| clears the collections | |
| bool | operator== (const ParamContainer &that) const |
| returns true iff this and that have the exact same cvParams and userParams | |
| bool | operator!= (const ParamContainer &that) const |
| returns !(this==that) | |
| template<> | |
| void | set (CVID cvid, bool value, CVID units) |
| special case for bool (outside the class for gcc 3.4, and inline for msvc) | |
Public Attributes | |
| std::string | id |
| Identifier for the compound to be used for referencing within a document. | |
| std::vector< RetentionTime > | retentionTimes |
| List of retention time information entries. | |
| Public Attributes inherited from pwiz::data::ParamContainer | |
| std::vector< ParamGroupPtr > | paramGroupPtrs |
| a collection of references to ParamGroups | |
| std::vector< CVParam > | cvParams |
| a collection of controlled vocabulary terms | |
| std::vector< UserParam > | userParams |
| a collection of uncontrolled user terms | |
Detailed Description
Chemical compound other than a peptide for which one or more transitions.
Definition at line 240 of file TraData.hpp.
Constructor & Destructor Documentation
| pwiz::tradata::Compound::Compound | ( | const std::string & | id = "" | ) |
Member Function Documentation
| bool pwiz::tradata::Compound::empty | ( | ) | const |
returns true iff all members are empty and contain no params
Reimplemented from pwiz::data::ParamContainer.
Member Data Documentation
| std::string pwiz::tradata::Compound::id |
Identifier for the compound to be used for referencing within a document.
Definition at line 243 of file TraData.hpp.
Referenced by pwiz::tradata::TextWriter::operator()(), and testCompound().
| std::vector<RetentionTime> pwiz::tradata::Compound::retentionTimes |
List of retention time information entries.
Definition at line 246 of file TraData.hpp.
Referenced by pwiz::tradata::TextWriter::operator()(), and testCompound().
The documentation for this struct was generated from the following file:
- /Users/parag/_Research/pwiz/svn/trunk/pwiz/pwiz/data/tradata/TraData.hpp
