From 82d52a729d15588c7f75f2ae46b1d8e742461f2e Mon Sep 17 00:00:00 2001
From: Thomas Renne <thomas.renne@u-psud.fr>
Date: Thu, 19 Nov 2020 16:21:37 +0100
Subject: [PATCH] Add chargeDeconvolutionfilter test and correct the filter
---
.../filters/filterchargedeconvolution.cpp | 7 +-
test/test_trace_filters.cpp | 66 +++++++++++++++++++
2 files changed, 71 insertions(+), 2 deletions(-)
diff --git a/src/pappsomspp/processing/filters/filterchargedeconvolution.cpp b/src/pappsomspp/processing/filters/filterchargedeconvolution.cpp
index cc5fa76b9..06029816c 100644
--- a/src/pappsomspp/processing/filters/filterchargedeconvolution.cpp
+++ b/src/pappsomspp/processing/filters/filterchargedeconvolution.cpp
@@ -277,16 +277,19 @@ pappso::FilterChargeDeconvolution::computeIsotopeDeconvolution(
if(data_point_info->z_charge == 1)
{
+
for(DataPointInfoSp data : data_point_info->z1_vect)
{
- deconvoluted_point->data_point.y += data->data_point.y;
+ deconvoluted_point->new_mono_charge_data_point.y +=
+ data->data_point.y;
}
}
else if(data_point_info->z_charge == 2)
{
for(DataPointInfoSp data : data_point_info->z2_vect)
{
- deconvoluted_point->data_point.y += data->data_point.y;
+ deconvoluted_point->new_mono_charge_data_point.y +=
+ data->data_point.y;
}
}
else // if z.charge == 0
diff --git a/test/test_trace_filters.cpp b/test/test_trace_filters.cpp
index 6aaeaad96..b60537509 100644
--- a/test/test_trace_filters.cpp
+++ b/test/test_trace_filters.cpp
@@ -39,9 +39,11 @@
#include <pappsomspp/processing/filters/filtercomplementionenhancer.h>
#include <pappsomspp/psm/xtandem/xtandemhyperscore.h>
#include <pappsomspp/processing/filters/filtersuitestring.h>
+#include <pappsomspp/processing/filters/filterchargedeconvolution.h>
#include "common.h"
#include "config.h"
+
using namespace pappso;
using namespace std;
@@ -421,5 +423,69 @@ main()
<< "filter_suite_str = "
<< filter_suite_str.get()->toString().toStdString() << endl;
+ cout << endl
+ << "..:: FilterChargeDeconvolution from FilterSuiteString ::.." << endl;
+
+ std::shared_ptr<pappso::FilterChargeDeconvolution>
+ filter_charge_deconvolution =
+ std::make_shared<pappso::FilterChargeDeconvolution>(
+ filter_suite_str.get()->toString());
+
+ Trace loaded_trace({// First peak z = 2
+ DataPoint(10, 20),
+ DataPoint(10.5, 18),
+ DataPoint(11, 16),
+ // Not a real peak
+ DataPoint(15, 50),
+ DataPoint(16, 51),
+ // Second peak z = 1
+ DataPoint(24, 200),
+ DataPoint(25, 20),
+ // Third peak z = 2
+ DataPoint(31, 20),
+ DataPoint(31.5, 15)});
+ Trace theorical_trace({// Not modified peaks
+ DataPoint(15, 50),
+ DataPoint(16, 51),
+ // First peak merged
+ DataPoint(20-MHPLUS, 54),
+ // Second
+ DataPoint(24, 220),
+ // Third
+ DataPoint(62-MHPLUS, 35)});
+ cout << "Transform Trace data" << endl;
+ filter_charge_deconvolution->filter(loaded_trace);
+
+
+ if(loaded_trace != theorical_trace)
+ {
+ cerr << "transformed Trace are different from theorical trace :" << endl;
+
+ if(loaded_trace.xValues().size() == theorical_trace.xValues().size())
+ {
+ cerr << "transformed trace: \t";
+ for(std::size_t i = 0; i < loaded_trace.xValues().size(); i++)
+ {
+ cerr << "(" << loaded_trace.xValues()[i] << ", "
+ << loaded_trace.yValues()[i] << ") ";
+ }
+ cerr << endl;
+ cerr << "theorical trace : \t";
+ for(std::size_t i = 0; i < theorical_trace.xValues().size(); i++)
+ {
+ cerr << "(" << theorical_trace.xValues()[i] << ", "
+ << theorical_trace.yValues()[i] << ") ";
+ }
+ cerr << endl;
+ }
+ else
+ {
+ cerr << "Number of peaks is different : "
+ << loaded_trace.xValues().size() << " vs "
+ << theorical_trace.xValues().size();
+ }
+ return 1;
+ }
+
return 0;
}
--
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