git-svn-id: file:///home/git/hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/Rdisop@81840 bc3139a8-67e5-0310-9ffc-ced21a209358
Steffen Neumann authored on 18/10/2013 19:02:05
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@@ -1,7 +1,7 @@ |
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Package: Rdisop |
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Title: Decomposition of Isotopic Patterns |
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-Version: 1.23.0 |
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-Date: 2012-11-30 |
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+Version: 1.23.1 |
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+Date: 2013-10-18 |
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Author: Anton Pervukhin <apervukh@minet.uni-jena.de>, Steffen Neumann <sneumann@ipb-halle.de> |
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Maintainer: Steffen Neumann <sneumann@ipb-halle.de> |
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Description: Identification of metabolites using high precision mass |
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@@ -233,9 +233,9 @@ scores(const masses_container& measured_masses, |
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double prob = erfc(abs(x - mass_dists[0].mean) / (sqrt(mass_dists[0].variance) * sqrt2)); |
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scores.push_back(prob); |
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- if (isDebugMode) {
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- std::cout << "erfc[mass_0] = " << prob << '\n'; |
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- } |
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+ // if (isDebugMode) {
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+ // std::cout << "erfc[mass_0] = " << prob << '\n'; |
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+ // } |
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// remaining peaks (only mass) |
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for (size_type i = 1; i < i_max; ++i) {
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@@ -257,15 +257,15 @@ scores(const masses_container& measured_masses, |
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double mean = (i < mass_dists.size()) ? mass_dists[i].mean : mass_dists.back().mean; |
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double variance = (i < mass_dists.size()) ? mass_dists[i].variance : mass_dists.back().variance; |
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prob *= erfc(abs(x - mean) / (sqrt(variance) * sqrt2)); |
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- if (isDebugMode) {
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- std::cout << "erfc[mass_" << i << "] = " << erfc(abs(x - mean) / (sqrt(variance) * sqrt2)) << '\n'; |
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- } |
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+ // if (isDebugMode) {
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+ // std::cout << "erfc[mass_" << i << "] = " << erfc(abs(x - mean) / (sqrt(variance) * sqrt2)) << '\n'; |
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+ // } |
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scores.push_back(erfc(abs(x - mean) / (sqrt(variance) * sqrt2))); |
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} |
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- if (isDebugMode) {
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- std::cout << "prob (after masses) = " << prob << '\n'; |
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- } |
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+ // if (isDebugMode) {
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+ // std::cout << "prob (after masses) = " << prob << '\n'; |
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+ // } |
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// intensities |
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i_max = std::min(predicted_masses.size(), std::min(measured_masses.size(), intensity_dists.size())); |
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@@ -283,15 +283,15 @@ scores(const masses_container& measured_masses, |
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prob *= erfc(abs(x - mean) / (sqrt(variance) * sqrt2)); |
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// or perhaps: |
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// prob *= erfc((x - mean) / (sqrt(variance) * sqrt2)); |
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- if (isDebugMode) {
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- std::cout << "erfc[abund_" << i << "] = " << erfc(abs(x - mean) / (sqrt(variance) * sqrt2)) << '\n'; |
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- } |
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+ // if (isDebugMode) {
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+ // std::cout << "erfc[abund_" << i << "] = " << erfc(abs(x - mean) / (sqrt(variance) * sqrt2)) << '\n'; |
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+ // } |
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scores.push_back(erfc(abs(x - mean) / (sqrt(variance) * sqrt2))); |
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} |
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- if (isDebugMode) {
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- std::cout << "prob (after abundances) = " << prob << '\n'; |
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- } |
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+ // if (isDebugMode) {
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+ // std::cout << "prob (after abundances) = " << prob << '\n'; |
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+ // } |
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////// i_max = std::min(predicted_masses.size(), measured_masses.size()); |
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////// |