Commit 7ff56874 authored by Langella Olivier's avatar Langella Olivier
Browse files

new function to collect mass delta for any kind of sequence hit (target or decoy)

parent d7074c63
......@@ -385,6 +385,36 @@ IdentificationGroup::collectMhDelta(
}
}
}
void
IdentificationGroup::collectTargetDecoyMhDelta(
std::vector<pappso::pappso_double> &delta_list,
pappso::PrecisionUnit unit,
ValidationState state) const
{
std::set<const PeptideEvidence *> peptide_evidence_list;
for(auto &p_protein_match : _protein_match_list)
{
if(p_protein_match->getValidationState() == state)
{
p_protein_match->collectPeptideEvidences(peptide_evidence_list,
state);
}
}
for(const PeptideEvidence *p_peptide_evidence : peptide_evidence_list)
{
if(unit == pappso::PrecisionUnit::ppm)
{
delta_list.push_back(p_peptide_evidence->getPpmDeltaMass());
}
else
{
delta_list.push_back(p_peptide_evidence->getDeltaMass());
}
}
}
void
IdentificationGroup::startGrouping(
ContaminantRemovalMode contaminantRemovalMode,
......
......@@ -157,14 +157,33 @@ class IdentificationGroup
bool containSample(const QString &sample) const;
/** @brief collect mass delta between theoretical mass and observed mass
* each peptide evidence is only counted once
/** @brief collect mass delta between theoretical mass and observed mass for
* target sequences
*
* each peptide evidence is only counted once it counts only
* peptide evidence for target Sequences
* @param delta_list list of mass delta
* @param unit precision unit, ppm or dalton
* @param state validation state of the peptides to collect
*/
void collectMhDelta(std::vector<pappso::pappso_double> &delta_list,
pappso::PrecisionUnit unit,
ValidationState state) const;
/** @brief collect mass delta between theoretical mass and observed mass
*
* each peptide evidence is only counted once it counts target or decoy
* peptide evidence
* @param delta_list list of mass delta
* @param unit precision unit, ppm or dalton
* @param state validation state of the peptides to collect
*/
void collectTargetDecoyMhDelta(std::vector<pappso::pappso_double> &delta_list,
pappso::PrecisionUnit unit,
ValidationState state) const;
/** @brief look for a peptide in the same XIC
* @param peptide_evidence_list the peptide evidence list to build
* @param p_msrun MSrun to look for
......
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