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 #include #include - +#include @@ -69,6 +69,8 @@ const gsl_rng_type * T; gsl_rng *r; +vector 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 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 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& 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(Correl); //double SD = SD_vf(Correl, mean); @@ -951,9 +989,11 @@ int print_inter(vector& 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 tem;