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@@ -319,6 +319,62 @@ Rcpp::DataFrame RcppIdent::getScore( ) |
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} |
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} |
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+Rcpp::DataFrame RcppIdent::getSpecParams( ) |
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+{ |
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+ vector<SpectrumIdentificationResultPtr> spectrumIdResult = mzid->analysisCollection.spectrumIdentification[0]->spectrumIdentificationListPtr->spectrumIdentificationResult; |
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+ vector<string> spectrumID; |
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+ vector<string> names; |
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+ int count = 0; |
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+ |
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+ for(size_t i = 0; i < spectrumIdResult[0]->cvParams.size(); i++) |
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+ { |
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+ if(!spectrumIdResult[0]->cvParams[i].value.empty()) |
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+ { |
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+ count++; |
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+ names.push_back(cvTermInfo(spectrumIdResult[0]->cvParams[i].cvid).name); |
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+ } |
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+ } |
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+ if(count == 0) |
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+ { |
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+ Rcpp::Rcout << "No scoring information available" << std::endl; |
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+ return Rcpp::DataFrame::create(); |
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+ } |
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+ else |
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+ { |
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+ vector<vector<string> > score(count); |
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+ |
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+ for (size_t i = 0; i < spectrumIdResult.size(); i++) |
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+ { |
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+ spectrumID.push_back(spectrumIdResult[i]->spectrumID); |
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+ count = 0; |
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+ for(size_t j = 0; j < spectrumIdResult[i]->cvParams.size(); j++) |
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+ { |
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+ if(!spectrumIdResult[i]->cvParams[j].value.empty()) |
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+ { |
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+ score[count].push_back(lexical_cast<string>(spectrumIdResult[i]->cvParams[j].value)); |
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+ count++; |
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+ } |
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+ } |
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+ } |
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+ |
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+ Rcpp::List res(score.size() + 1); |
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+ |
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+ names.insert(names.begin(), "spectrumID"); |
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+ |
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+ res[0] = Rcpp::wrap(spectrumID); |
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+ |
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+ for(size_t i = 0; i < score.size(); i++) |
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+ { |
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+ res[i + 1] = Rcpp::wrap(score[i]); |
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+ } |
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+ |
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+ res.attr("names") = names; |
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+ Rcpp::DataFrame out(res); |
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+ |
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+ return out; |
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+ } |
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+} |
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+ |
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Rcpp::List RcppIdent::getPara( ) |
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{ |
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