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-rw-r--r--academic/vCAPS_coevolution/01_caps_verbose.patch114
1 files changed, 114 insertions, 0 deletions
diff --git a/academic/vCAPS_coevolution/01_caps_verbose.patch b/academic/vCAPS_coevolution/01_caps_verbose.patch
new file mode 100644
index 0000000000..7f64d80f34
--- /dev/null
+++ b/academic/vCAPS_coevolution/01_caps_verbose.patch
@@ -0,0 +1,114 @@
+diff -pruN orig/caps.cpp new/caps.cpp
+--- orig/caps.cpp 2012-12-15 17:13:23.000000000 +0200
++++ new/caps.cpp 2020-09-09 23:07:46.080566000 +0300
+@@ -14,7 +14,7 @@
+ #include <gsl/gsl_statistics.h>
+ #include<sys/time.h>
+ #include<iomanip>
+-
++#include <bits/stdc++.h>
+
+
+
+@@ -69,6 +69,8 @@
+ const gsl_rng_type * T;
+ gsl_rng *r;
+
++vector<double> totaltempnew;
++double alphathresh = 0;
+ int main(int argc, char *argv[]){
+
+
+@@ -543,16 +545,27 @@ int main(int argc, char *argv[]){
+
+
+ print_splash(output);
++ OUTPUT << "\n\File1: " << files[i] << endl;
+ vec1.print_to_fasta(output.c_str());
++ OUTPUT << "\n\nFile2: " << files[j] << endl;
+ vec2.print_to_fasta(output.c_str());
+ int length1 = vec1.sequences[0].length();
+ int length2 = vec2.sequences[0].length();
+
++ OUTPUT << "\n\nLength1: " << length1 << endl;
++ OUTPUT << "Length2: " << length2 << endl;
+
+
+ if(tree_in ==0){
+ tree1 = create_input_tree(vec1.names, vec1.sequences);
+ tree2 = create_input_tree(vec2.names, vec2.sequences);
++
++ // Output the CAPS generated trees to the .out file of each pair
++ string temptre1 = TreeTemplateTools::treeToParenthesis(*tree1, true);
++ string temptre2 = TreeTemplateTools::treeToParenthesis(*tree2, true);
++ OUTPUT << "\n" << endl;
++ OUTPUT << "CAPS generated tree 1: " << temptre1 << endl;
++ OUTPUT << "CAPS generated tree 2: " << temptre2 << endl;
+ }/*else if(tree_in ==1 && variable==1){
+
+ std::auto_ptr<DistanceMatrix> DS;
+@@ -666,6 +679,7 @@ int main(int argc, char *argv[]){
+ int value = floor(((totaltemp.size())*(1-(threshval))))+1;
+
+ threshold = totaltemp[value];
++ totaltempnew = totaltemp;
+
+
+ /*=======================================================*/
+@@ -870,6 +884,30 @@ int Chi_squared (int num_pairs, int num_
+
+ } /* ----- end of function Chi_squared ----- */
+
++/*
++ * === FUNCTION ======================================================================
++ * Name: find_alpha
++ * Description: Find the index of an element in a vector totaltemp
++ * Help from: https://www.geeksforgeeks.org/how-to-find-index-of-a-given-element-in-a-vector-in-cpp/
++ * https://stackoverflow.com/questions/8647635/elegant-way-to-find-closest-value-in-a-vector-from-above
++ * Author: Petar Petrov, University of Turku (Finland); pebope@utu.fi
++ * =====================================================================================
++ */
++double getIndex(std::vector<double> const& v, double K)
++{
++ auto const it = std::lower_bound(v.begin(), v.end(), fabs(K));
++ //auto it = std::upper_bound(v.begin(), v.end(), fabs(K));
++
++ if (it != v.end()) {
++ int index = distance(v.begin(), it);
++ alphathresh = (((int)1+(double)v.size()-(int)index)/(double)v.size());
++ return alphathresh;
++ //cerr << index << "\t" << alphathresh << endl;
++ }
++ else {
++ cerr << "ELEMENT NOT FOUND!" << endl;
++ }
++}
+
+
+
+@@ -890,9 +928,9 @@ int print_inter(vector<double>& Correl1,
+ output << endl << endl;
+
+ output << "Coevolving Pairs of amino acid sites\n";
+- output << "=============================================================================\n";
+- output << "Col1(real)\tCol2(real)\tDmean1\t\tDmean2\t\tCorrelation\tBootstrap value\n\n";
+- output << "=============================================================================\n";
++ output << "================================================================================================================================\n";
++ output << "Col1(real)\tCol2(real)\tDmean1\t\tDmean2\t\tCorrelation\tBootstrap value\tP-value1\tP-value2\tMean P-value\tCorrelation1\tCorrelation2\n\n";
++ output << "================================================================================================================================\n";
+
+ //double mean = average_vec<double>(Correl);
+ //double SD = SD_vf(Correl, mean);
+@@ -951,9 +989,11 @@ int print_inter(vector<double>& Correl1,
+
+ // }
+
++ double Alpha1 = getIndex(totaltempnew, Correl1[cor]);
++ double Alpha2 = getIndex(totaltempnew, Correl2[cor]);
+ //if(bootval>=bootcut && re1<=8 && re2<=8 ){
+ if(bootval>=bootcut){
+- output << i+1 << "(" << i-gaps1+1 << ")\t\t" << j+1 << "(" << (j+1)-gaps2 << ")\t\t" << averDi << "\t\t" << averDj << "\t\t" << (Correl1[cor]+Correl2[cor])/2 << "\t" << bootval << endl;
++ output << i+1 << "(" << i-gaps1+1 << ")\t\t" << j+1 << "(" << (j+1)-gaps2 << ")\t\t" << averDi << "\t\t" << averDj << "\t" << (Correl1[cor]+Correl2[cor])/2 << "\t" << bootval << "\t" << Alpha1 << "\t" << Alpha2 << "\t" << (Alpha1+Alpha2)/2 << "\t" << Correl1[cor] << "\t" << Correl2[cor] << endl;
+ signif.push_back(((Correl1[cor]+Correl2[cor])/2));
+ ++pairs;
+ vector<int> tem;