complexe.cpp
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#include <algorithm>
#include <iostream>
#include <boost/format.hpp>
#include "complexe.h"
struct special_compare : public std::unary_function<std::pair < std::pair < int, int > , std::pair < int, int > >, bool>
{
explicit special_compare(const std::pair < std::pair < int, int > , std::pair < int, int > > &pairOfPair) :
pairOfPair(pairOfPair) {}
bool operator() (const std::pair < std::pair < int, int > , std::pair < int, int > > &pairOfPair2)
{
return (pairOfPair.first == pairOfPair2.first and pairOfPair.second == pairOfPair2.second) or (pairOfPair.first == pairOfPair2.second and pairOfPair.second == pairOfPair2.first);
}
std::pair < std::pair < int, int > , std::pair < int, int > > pairOfPair;
};
struct StructureComp {
StructureComp() {}
bool operator()(const Structure &s1, const Structure &s2) const {
return s1.get_rna_() < s2.get_rna_();
}
};
Complexe::Complexe(const std::vector< unsigned int > &rnaList, const std::vector< std::string > &rnaName,
const std::vector< std::string > &seqList,
const std::vector < std::pair < std::pair < unsigned int, unsigned int >, std::pair < unsigned int, unsigned int > > > &listBP,
std::vector < float > obj) :
rnaList_(rnaList), rnaName_(rnaName), seqList_(seqList), listBP_(listBP), obj_(obj)
{
std::sort(listBP_.begin(), listBP_.end());
make_listBP2_();
}
Complexe::Complexe()
{
}
Complexe::~Complexe()
{
}
void Complexe::loadListsBP_()
{
if( listsBP_.empty()) {
listsBP_.push_back(listBP_);
size_t i, j, k, size, size2, size3;
//identify RNA with identical sequences
std::vector< std::string > seqs;
std::vector< std::vector< int > > idRNAs;
//int max = 0;
bool SYM = false;
for(i = 0, size = seqList_.size(); i != size; i++) {
std::vector< std::string >::iterator it = std::find(seqs.begin(), seqs.end(), seqList_[i]);
int index = int(std::distance(seqs.begin(), it));
if( it == seqs.end()) {
seqs.push_back(seqList_[i]);
std::vector<int> v { int(i) };
idRNAs.push_back(v);
} else {
idRNAs[ulong(index)].push_back( int(i));
SYM = true;
}
}
if (SYM) {
//Perform permutations for all groups of identical RNAs
std::vector< std::vector < std::vector< int > > > permutatedRNAs;
for(i = 0, size = idRNAs.size(); i != size; i++) {
permutatedRNAs.push_back(std::vector < std::vector < int > > ());
std::sort (idRNAs[i].begin(),idRNAs[i].end());
do {
permutatedRNAs[i].push_back(std::vector < int > (idRNAs[i]));
} while ( std::next_permutation(idRNAs[i].begin(),idRNAs[i].end()) );
}
//Mix all groups of permutated RNAs
std::vector< std::vector < std::vector < int > > > mixedPermutations;
std::vector< std::vector < std::vector < int > > > niveau;
for(i = 0, size = permutatedRNAs[0].size(); i != size; i++) {
niveau.push_back(std::vector< std::vector < int > > {permutatedRNAs[0][i]});
}
std::vector< std::vector < int > > v;
for(i = 1, size = permutatedRNAs.size(); i != size; i++) {
mixedPermutations.clear();
for(j = 0, size2 = permutatedRNAs[i].size(); j != size2; j++)
for(k = 0, size3 = niveau.size(); k != size3; k++) {
v = niveau[k];
v.push_back(permutatedRNAs[i][j]);
mixedPermutations.push_back(v);
}
niveau = mixedPermutations;
}
mixedPermutations = niveau;
//Transform into a permutation
std::vector < std::vector < int > > permutbis, permutations;
std::vector < int > permut;
int max = int(rnaList_.size());
for(i = 0, size = mixedPermutations.size(); i != size; i++) {
permutbis = mixedPermutations[i];
permut.clear();
for(int j = 0; j != max; j++) {
k = 0;
while (std::find(mixedPermutations[i][k].begin(), mixedPermutations[i][k].end(), j) == mixedPermutations[i][k].end())
k++;
permut.push_back(permutbis[k][0]);
permutbis[k].erase(permutbis[k].begin());
}
permutations.push_back(permut);
}
//Fill listsBP_
std::vector < std::pair < std::pair < unsigned int, unsigned int >, std::pair < unsigned int, unsigned int > > > listBPbis;
for(i = 0, size = permutations.size(); i != size; i++) {
for(j = 0, size2 = listBP_.size(); j != size2; j++)
listBPbis.push_back(std::make_pair(
std::make_pair(permutations[i][listBP_[j].first.first], listBP_[j].first.second),
std::make_pair(permutations[i][listBP_[j].second.first], listBP_[j].second.second) ));
listsBP_.push_back(listBPbis);
listBPbis.clear();
}
}
}
}
std::vector< unsigned int > Complexe::get_rnaList_() const
{
return rnaList_;
}
std::vector< std::string > Complexe::get_rnaName_() const
{
return rnaName_;
}
std::vector< std::string > Complexe::get_seqList_() const
{
return seqList_;
}
std::vector < float > Complexe::get_obj_() const
{
return obj_;
}
std::vector < std::pair < std::pair < unsigned int, unsigned int > , std::pair < unsigned int, unsigned int > > > Complexe::get_listBP_() const
{
return listBP_;
}
std::vector < std::vector < std::pair < std::pair < unsigned int, unsigned int > , std::pair < unsigned int, unsigned int > > > > Complexe::get_listsBP_() const
{
return listsBP_;
}
void Complexe::set_obj_(std::vector < float > obj)
{
obj_ = obj;
}
void Complexe::set_rnaList_(const std::vector< unsigned int > &rnaList)
{
rnaList_ = rnaList;
}
void Complexe::set_rnaName_(const std::vector< std::string > &rnaName)
{
rnaName_ = rnaName;
}
void Complexe::set_seqList_(const std::vector< std::string > &seqList)
{
seqList_ = seqList;
}
void Complexe::make_listBP2_() {
int rna1, rna2, i, j, i_cplx, j_cplx;
std::tuple < int, int, int > nt1, nt2, temp;
for (size_t k = 0, size = listBP_.size(); k != size; k++)
{
rna1 = int(listBP_[k].first.first);
rna2 = int(listBP_[k].second.first);
i = int(listBP_[k].first.second); // position of bp first nt in its rna
j = int(listBP_[k].second.second); // position of bp second nt in its rna
if (rna1 == 0) {
nt1 = std::make_tuple(rna1, i, i);
}
else {
i_cplx = i;
for (size_t k = 0, size = rna1; k != size; k++) {
i_cplx += seqList_[k].size();
}
nt1 = std::make_tuple(rna1, i, i_cplx);
}
if (rna2 == 0) {
nt2 = std::make_tuple(rna2, j, j);
}
else {
j_cplx = j;
for (size_t k = 0, size = rna2; k != size; k++) {
j_cplx += seqList_[k].size();
}
nt2 = std::make_tuple(rna2, j, j_cplx);
}
if (rna1 > rna2) {
temp = nt2;
nt2 = nt1;
nt1 = temp;
}
listBP2_.push_back(std::make_pair(nt1, nt2));
}
std::sort(listBP2_.begin(), listBP2_.end());
}
std::string Complexe::convToDP()
{
// sort base pairs per helices
std::vector < std::vector < std::pair < std::tuple < int, int, int >, std::tuple < int, int, int > > > > helices;
int rna1, rna2, i, j, i2, j2;
bool new_hel, add;
for (size_t k = 0, size = listBP2_.size(); k != size; k++ ) { // for bp in listBP2_ :
i = int(std::get<2>(listBP2_[k].first)); // position of first nt in the complex
j = int(std::get<2>(listBP2_[k].second)); // position of second nt in the complex
new_hel = true;
for(size_t h = 0, size2 = helices.size(); h != size2; h++) { // for hel in helices :
add = true;
for (size_t b = 0, size3 = helices[h].size(); b != size3; b++) { // for bp2 in hel :
i2 = std::get<2>(helices[h][b].first);
j2 = std::get<2>(helices[h][b].second);
if ( (i < i2 and i2 < j and j < j2) or (i2 < i and i < j2 and j2 < j) ) {
add = false; // do not add bp in hel
break; // go to next hel
}
}
if (add) {
helices[h].push_back(listBP2_[k]); // add bp to hel
new_hel = false; // no need to create another hel
break; // go to next hel
}
}
if (new_hel) { // bp do not fit in any helix, create a new helix
helices.push_back(std::vector< std::pair < std::tuple < int, int, int >, std::tuple < int, int, int > > > (1, listBP2_[k]));
}
}
// initialize structures to dots
std::vector < std::string > structs;
for (size_t k = 0, size = seqList_.size(); k != size; k++) {
structs.push_back(std::string (ulong(seqList_[k].size()), '.'));
}
// choose a character for each level
std::vector<char> openChars;
openChars.clear();
openChars.push_back(40); // "("
openChars.push_back(91); // "["
openChars.push_back(123); // "{"
openChars.push_back(60); // "<"
for (size_t k = 65; k != 91; k++) { // uppercase letters
openChars.push_back(k);
}
openChars.push_back(92); // "\"
for (size_t k = 48; k != 53; k++) { // "0" to "4"
openChars.push_back(k);
}
int ind = 0;
char c = openChars[ind];
bool error = false;
for (size_t k = 0, size = helices.size(); k != size; k++) { // hel in helices :
for (size_t l = 0, size2 = helices[k].size(); l != size2; l++) { // bp in hel
rna1 = std::get<0>(helices[k][l].first); // rna of first nt
rna2 = std::get<0>(helices[k][l].second); // rna of second nt
i = std::get<1>(helices[k][l].first); // position of first nt in its rna
j = std::get<1>(helices[k][l].second); // position of second nt in its rna
structs[ulong(rna1)][ulong(i)] = c; // opening char
structs[ulong(rna2)][ulong(j)] = get_closing_char(c); // closing char
}
ind++;
if ( ind == int(openChars.size()) ) {
error = true;
break;
}
else {
c = openChars[ind];
}
}
// print the new format
std::string res = "";
if (error) {
res = "No dot-parenthesis display avalaible.\n";
}
else {
for (size_t k = 0, size = seqList_.size(); k != size; k++) {
res += seqList_[k] + "\n" + structs[k] + "\n";
}
}
return res;
}
char Complexe::get_closing_char(char openChar)
{
char closeChar;
if ( openChar >= 65 and openChar <= 90 ) { // uppercase letter
closeChar = openChar + 32; // lowercase letter
}
else {
if ( openChar == 40 ) { // if openChar is a "("
closeChar = 41; // ")"
}
else {
if (openChar == 91 or openChar == 123 or openChar == 60) { // if openChar is a "[", a "{" or a "<"
closeChar = openChar + 2;
}
else {
if ( openChar == 92) { // if openChar is a "\"
closeChar = 47; // "/"
}
else { // ( openChar >= 48 and openChar <= 52 ), numbers
closeChar = 105 - openChar; // "0" with "9", "1" with "8", "2" with "7", "3" with "6", "4" with "5"
}
}
}
}
return closeChar;
}
std::string Complexe::to_string()
{
/*std::cout << "structures" << std::endl;
for(size_t i = 0, size = strList_.size(); i != size; i++)
std::cout << strList_[i].get_id_() << "\n" << strList_[i].convToDP() << " score = " << strList_[i].get_obj1_() << std::endl;
std::cout << "interactions" << std::endl;
for(size_t i = 0, size = inteList_.size(); i != size; i++)
std::cout << inteList_[i].get_id_() << "\n" << inteList_[i].convToDP() << " score = " << inteList_[i].get_score_() << std::endl;
std::cout << "complexe" << std::endl;*/
return convToDP() + "\t Energy " + boost::str(boost::format("%.2f") % obj_[1])
+ "\t User constraints " + boost::str(boost::format("%.f") % obj_[0])
//+ "\t Compatibility " + boost::str(boost::format("%.2f") % obj_[1])
+ "\t Probing data " + boost::str(boost::format("%.2f") % obj_[2]) ;
}
std::string Complexe::to_Json()
{
return "{\"seq\":\"" + convToDP() + "\", \"energy\":\" " + boost::str(boost::format("%.2f") % obj_[1])
+ "\", \"userct\":\" " + boost::str(boost::format("%.2f") % obj_[0])
//+ "\", \"compatibility\":\" " + boost::str(boost::format("%.2f") % obj_[1])
+ "\", \"probing\":\" " + boost::str(boost::format("%.2f") % obj_[2])+ "\"},";
}
std::string Complexe::to_forna()
{
std::string res;
res = "";
for(size_t i = 0, size = seqList_.size(); i != size; i++) {
res += ">" + rnaName_[i] + "\n" + seqList_[i] + "\n\n";
}
res += "[";
for(size_t i = 0, size = listBP_.size(); i != size; i++) {
res += "[[" + std::to_string(listBP_[i].first.first) + "," + std::to_string(listBP_[i].first.second) + "],[" + std::to_string(listBP_[i].second.first) + "," + std::to_string(listBP_[i].second.second) + "]]";
if (i < size -1)
res += ",";
}
res += "] \nEnergy " + boost::str(boost::format("%.2f") % obj_[1])
+ "\t User constraints " + boost::str(boost::format("%.f") % obj_[0])
//+ "\t Compatibility " + boost::str(boost::format("%.2f") % obj_[1])
+ "\t Probing data " + boost::str(boost::format("%.2f") % obj_[2])
+ ";";
return res;
}
std::string Complexe::to_graph(uint index)
{
std::string res, res2;
res = "t " + std::to_string(index) + "\n";
std::vector < uint > vertices;
uint counter = 0;
for(size_t i = 0, size = seqList_.size(); i != size; i++) {
for(size_t j = 0, size2 = seqList_[i].size(); j != size2; j++) {
// Vertices
res += "v " + std::to_string(counter) + " " + seqList_[i][j] + " " + "\n";
// Backbone edges
if (j != uint(size2) - 1)
res2 += "e " + std::to_string(counter) + " " + std::to_string(counter + 1) + " > 1\n";
counter++;
}
}
res += res2;
// Base pair edges
uint l1 = 0, l2 = 0;
for(size_t i = 0, size = listBP_.size(); i != size; i++) {
l1 = 0;
l2 = 0;
for(size_t j = 0, size2 = size_t(listBP_[i].first.first); j != size2; j++)
l1 += uint(seqList_[j].size());
for(size_t j = 0, size2 = size_t(listBP_[i].second.first); j != size2; j++)
l2 += uint(seqList_[j].size());
res += "e " + std::to_string(listBP_[i].first.second + l1) + " " + std::to_string(listBP_[i].second.second + l2) + " s\n";
}
return res;
}
bool Complexe::operator<(const Complexe &s)
{
return (obj_[0] > s.obj_[0] //and obj_[1] > s.obj_[1]
and obj_[1] < s.obj_[1] and obj_[2] > s.obj_[2]);
}
bool Complexe::operator<(const Complexe &s) const
{
return (obj_[0] > s.obj_[0] //and obj_[1] > s.obj_[1]
and obj_[1] < s.obj_[1] and obj_[2] > s.obj_[2]);
}
bool Complexe::operator>(const Complexe &s)
{
return (obj_[0] < s.obj_[0] //and obj_[1] < s.obj_[1]
and obj_[1] > s.obj_[1] and obj_[2] < s.obj_[2]);
}
bool Complexe::operator>(const Complexe &s) const
{
return (obj_[0] < s.obj_[0] //and obj_[1] < s.obj_[1]
and obj_[1] > s.obj_[1] and obj_[2] < s.obj_[2]);
}
/*bool Complexe::operator<=(const Complexe &s)
{
return obj1_ <= s.obj1_;
}
bool Complexe::operator<=(const Complexe &s) const
{
return obj1_ <= s.obj1_;
}
bool Complexe::operator>=(const Complexe &s)
{
return obj1_ >= s.obj1_;
}
bool Complexe::operator>=(const Complexe &s) const
{
return obj1_ >= s.obj1_;
}*/
bool Complexe::operator==(const Complexe& c)
{
bool res = true;
if( ! ( int(listBP_.size()) == int(c.listBP_.size()) and std::abs(obj_[0]-c.obj_[0]) < 0.000001
//and std::abs(obj_[1]-c.obj_[1]) < 0.000001
and std::abs(obj_[1]-c.obj_[1]) < 0.000001
and std::abs(obj_[2]-c.obj_[2]) < 0.000001) ) {
res = false;
} else {
for(size_t i = 0, size = listBP_.size(); i != size and res; i++)
if (std::find(c.listBP_.begin(), c.listBP_.end(), listBP_[i]) == c.listBP_.end())
res = false;
}
return res;
}
bool Complexe::operator==(const Complexe& c) const
{
bool res = true;
if( ! ( int(listBP_.size()) == int(c.listBP_.size()) and std::abs(obj_[0]-c.obj_[0]) < 0.000001
//and std::abs(obj_[1]-c.obj_[1]) < 0.000001
and std::abs(obj_[1]-c.obj_[1]) < 0.000001
and std::abs(obj_[2]-c.obj_[2]) < 0.000001 ) ) {
res = false;
} else {
for(size_t i = 0, size = listBP_.size(); i != size and res; i++)
if (std::find(c.listBP_.begin(), c.listBP_.end(), listBP_[i]) == c.listBP_.end())
res = false;
}
return res;
}
bool Complexe::operator!=(const Complexe& c)
{
return ! ( *(this) == c );
}
bool Complexe::operator!=(const Complexe& c) const
{
return ! ( *(this) == c );
}
std::pair < std::pair < int, int > , std::pair < int, int > > Complexe::invert(std::pair < std::pair < int, int > , std::pair < int, int > > pair) const
{
return std::make_pair(pair.second, pair.first);
}
/*bool Complexe::isEquivalent(const Complexe &c1, const Complexe &c2)
{
bool RES = false;
std::vector < std::vector < std::pair < std::pair < unsigned int, unsigned int >, std::pair < unsigned int, unsigned int > > > > listsBP1 = c1.get_listsBP_();
std::vector < std::pair < std::pair < unsigned int, unsigned int >, std::pair < unsigned int, unsigned int > > > listBP2 = c2.get_listBP_();
size_t i = 0, j = 0, size = listsBP1.size(), size2 = listBP2.size();
while(!RES and i != size) {
if(listsBP1[i].size() == size2) {
j = 0;
do {
RES = std::find_if(listsBP1[i].begin(), listsBP1[i].end(), special_compare(listBP2[j])) != listsBP1[i].end();
j++;
}
while(RES and j != size2);
}
i++;
}
return RES;
}*/
bool Complexe::isEquivalent(const Complexe &c1, const Complexe &c2)
{
bool RES = false;
std::vector < std::vector < std::pair < std::pair < unsigned int, unsigned int >, std::pair < unsigned int, unsigned int > > > > listsBP1 = c1.get_listsBP_();
std::vector < std::pair < std::pair < unsigned int, unsigned int >, std::pair < unsigned int, unsigned int > > > listBP2 = c2.get_listBP_();
std::vector < std::pair < std::pair < unsigned int, unsigned int >, std::pair < unsigned int, unsigned int > > > listBP3;
unsigned int rna1, rna2, locus1, locus2;
std::pair < unsigned int, unsigned int > nt1, nt2;
size_t i = 0, j = 0, k = 0;
bool found;
for (i=0; i != listsBP1.size() and RES == false; i++) {
if (listsBP1[i].size() == listBP2.size()) {
listBP3 = listsBP1[i];
found = true;
for (j=0; j != listBP2.size() and found == true; j++) { // for each bp in listBP2
rna1 = listBP2[j].first.first;
rna2 = listBP2[j].second.first;
locus1 = listBP2[j].first.second;
locus2 = listBP2[j].second.second;
found = false;
// check if the bp is in listsBP3
for (k = 0; k != listBP3.size() and found == false; k++) {
if ( (rna1 == listBP3[k].first.first and rna2 == listBP3[k].second.first and locus1 == listBP3[k].first.second and locus2 == listBP3[k].second.second)
or (rna2 == listBP3[k].first.first and rna1 == listBP3[k].second.first and locus2 == listBP3[k].first.second and locus1 == listBP3[k].second.second) ) {
listBP3.erase(listBP3.begin()+k); // remove the bp from listBP3 so next itteration is faster
found = true;
}
}
}
if (listBP3.size() == 0) { // so if bp lists are the same
RES = true;
}
}
}
return RES;
}