104 <<
"test_peptide_model_remove_complementary.getCountSharedPeaks()="
106 <<
" m_betterPeptideModel.getCountSharedPeaks()="
111 qDebug() <<
"replace with "
112 << test_peptide_model_remove_complementary.
toString();
114 test_peptide_model_remove_complementary);
127 qDebug() <<
"replace with "
128 << test_peptide_model_remove_negative.
toString();
151 std::size_t best_count_shared_peaks =
153 qDebug() << best_count_shared_peaks;
160 qDebug() <<
"i =" << i;
170 better_peptide_model_move_offset;
171 test_peptide_model_move_offset.at(i).mass_difference = 0;
172 qDebug() << test_peptide_model_move_offset.
toString();
178 if(test_peptide_model_move_offset.at(j).bracket ==
false)
180 if(test_peptide_model_move_offset.at(j).mass_difference != 0.0)
183 test_peptide_model_move_offset.at(j).mass_difference = mass_diff;
187 qDebug() << test_peptide_model_move_offset.
toString() <<
" "
189 <<
" " << best_count_shared_peaks;
191 best_count_shared_peaks)
193 best_count_shared_peaks =
195 better_peptide_model_move_offset.
copyDeep(
196 test_peptide_model_move_offset);
201 test_peptide_model_move_offset =
202 better_peptide_model_move_offset;
224 std::size_t best_count_shared_peaks =
226 qDebug() << best_count_shared_peaks;
237 test_peptide_model_for_neutral_loss.at(i).mass_difference = 0;
240 qDebug() << test_peptide_model_for_neutral_loss.
toString() <<
" "
242 <<
" " << best_count_shared_peaks;
244 best_count_shared_peaks)
246 best_count_shared_peaks =
248 better_peptide_model_for_neutral_loss.
copyDeep(
249 test_peptide_model_for_neutral_loss);
253 if(better_peptide_model_for_neutral_loss.size() > 0)
263 std::size_t best_count_shared_peaks =
265 PeptideModel better_peptide_model_cumulating_residual_mass_delta;
273 PeptideModel test_peptide_model_cumulating_residual_mass_delta =
277 test_peptide_model_cumulating_residual_mass_delta.at(i).mass_difference +=
281 if(test_peptide_model_cumulating_residual_mass_delta
282 .getCountSharedPeaks() >= best_count_shared_peaks)
284 best_count_shared_peaks =
285 test_peptide_model_cumulating_residual_mass_delta
287 better_peptide_model_cumulating_residual_mass_delta.
copyDeep(
288 test_peptide_model_cumulating_residual_mass_delta);
292 if(better_peptide_model_cumulating_residual_mass_delta.size() > 0)
295 better_peptide_model_cumulating_residual_mass_delta);
PostTreatment(pappso::PrecisionPtr precision, const PeptideModel &peptide_model)
const PeptideModel & getOriginalPeptideModel() const
pappso::PrecisionPtr m_precision
void findBetterPeptideModel()
whole processus to find a better peptide model
void tryToCumulateOffSets()
try to assign residual mass delta to non aligned elements
PeptideModel m_betterPeptideModel
bool findReplaceMutations()
const PeptideModel & getBetterPeptideModel() const
PeptideModel m_originalPeptideModel
void tryToRemoveOffsets()
try to remove offset (mass difference)
void tryBetterPositionOffsets()
try to move offset (mass difference)