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PAPPSO
xtpcpp
Commits
7ff56874
Commit
7ff56874
authored
Nov 07, 2020
by
Langella Olivier
Browse files
new function to collect mass delta for any kind of sequence hit (target or decoy)
parent
d7074c63
Changes
2
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Inline
Side-by-side
src/core/identificationgroup.cpp
View file @
7ff56874
...
...
@@ -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
,
...
...
src/core/identificationgroup.h
View file @
7ff56874
...
...
@@ -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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