OpenMS
2.4.0
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using | NucleotideToFragmentAdductMap = map< char, set< FragmentAdductDefinition_ > > |
using | PrecursorsToMS2Adducts = map< String, MS2AdductsOfSinglePrecursorAdduct > |
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static vector< ResidueModification > | getModifications (StringList modNames) |
Query ResidueModifications (given as strings) from ModificationsDB. More... | |
static NucleotideToFragmentAdductMap | getTargetNucleotideToFragmentAdducts (StringList fragment_adducts) |
static MS2AdductsOfSinglePrecursorAdduct | getFeasibleFragmentAdducts (const String &exp_pc_adduct, const String &exp_pc_formula, const NucleotideToFragmentAdductMap &nucleotide_to_fragment_adducts, const set< char > &can_xl) |
static PrecursorsToMS2Adducts | getAllFeasibleFragmentAdducts (const RNPxlModificationMassesResult &precursor_adducts, const NucleotideToFragmentAdductMap &nucleotide_to_fragment_adducts, const set< char > &can_xl) |
using NucleotideToFragmentAdductMap = map<char, set<FragmentAdductDefinition_> > |
using PrecursorsToMS2Adducts = map<String, MS2AdductsOfSinglePrecursorAdduct> |
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References RNPxlSearch::MS2AdductsOfSinglePrecursorAdduct::feasible_adducts, RNPxlSearch::FragmentAdductDefinition_::formula, String::hasSubstring(), LOG_DEBUG, RNPxlSearch::MS2AdductsOfSinglePrecursorAdduct::marker_ions, RNPxlSearch::FragmentAdductDefinition_::mass, RNPxlSearch::FragmentAdductDefinition_::name, OpenMS::StringConversions::toString(), and EmpiricalFormula::toString().
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Query ResidueModifications (given as strings) from ModificationsDB.
References ResidueModification::C_TERM, ModificationsDB::getInstance(), ModificationsDB::getModification(), and ResidueModification::N_TERM.
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References ModificationsDB::addModification(), ResidueModification::C_TERM, RNPxlSearch::FragmentAdductDefinition_::formula, ModificationsDB::getInstance(), EmpiricalFormula::getMonoWeight(), LOG_WARN, RNPxlSearch::FragmentAdductDefinition_::mass, ResidueModification::N_TERM, RNPxlSearch::FragmentAdductDefinition_::name, ResidueModification::setDiffMonoMass(), ResidueModification::setFullId(), ResidueModification::setId(), ResidueModification::setName(), ResidueModification::setTermSpecificity(), and EmpiricalFormula::toString().