Add_pdb.cpp
3.77 KB
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
#include <iostream>
#include <sstream>
#include <fstream>
#include "/mnt/c/Users/natha/Documents/IBISC/biorseo2/biorseo/cppsrc/json.hpp"
#include <typeinfo>
#include <set>
#include <algorithm>
#include <cstdio>
#include <vector>
using namespace std;
using json = nlohmann::json;
//Concatenate the motives from jsonmotifs by adding the corresponding pdb from jsondssr
void add_pdb(const string& jsonmotifs, const string& jsondssr, const string& jsonoutfile) {
std::ifstream lib(jsonmotifs);
std::ifstream lib2(jsondssr);
std::ofstream outfile (jsonoutfile);
json new_motif;
json new_id;
json js = json::parse(lib);
json js2 = json::parse(lib2);
for (auto it = js.begin(); it != js.end(); ++it) {
string id = it.key();
string sequence, structure;
vector<string> list_pdbs;
vector<string> list_pdbs2;
bool is_added = true;
//cout << "id: " << id << endl;
for (auto it2 = js[id].begin(); it2 != js[id].end(); ++it2) {
string test = it2.key();
if (!test.compare("sequence")) {
sequence = it2.value();
new_id[test] = it2.value();
} else if (!test.compare("struct2d")) {
structure = it2.value();
new_id[test] = it2.value();
} else {
new_id[test] = it2.value();
}
}
//cout << "-------begin---------" << endl;
for (auto it3 = js2.begin(); it3 != js2.end(); ++it3) {
string id2 = it3.key();
string sequence2, structure2;
//cout << "id: " << id << " / id2: " << id2 << endl;
for (auto it4 = js2[id2].begin(); it4 != js2[id2].end(); ++it4) {
string chain = it4.key();
for (auto it5 = js2[id2][chain].begin(); it5 != js2[id2][chain].end(); ++it5) {
string test = it5.key();
if (!test.compare("sequence")) {
sequence2 = it5.value();
//cout << sequence2 << endl;
if (!sequence.compare(sequence2) && !structure.compare(structure2)) {
//cout << id2 << endl;
vector<string> tmp;
tmp.push_back(id2);
new_id["pdb"] = tmp;
}
} else if (!test.compare("2D ")) {
structure2 = it5.value();
//cout << structure2 << endl;
}
}
}
//cout << endl;*/
}
/*for(uint ii = 0; ii < list_pfams.size(); ii++) {
for (uint jj = 0; jj < list_pfams[ii].size(); jj++) {
cout << "[" << ii << "][" << jj << "]: " << list_pfams[ii][jj] << endl;
}
}*/
new_motif[id] = new_id;
new_id.clear();
//cout << "valeur: " << ite << endl;
/*for (uint i = 0; i < tab_struc.size() ; i++) {
cout << "tab_struc[" << i << "]: " << tab_struc[i] << endl << endl;
} */
}
outfile << new_motif.dump(4) << endl;
outfile.close();
}
int main()
{
string jsonmotifs = "/mnt/c/Users/natha/Documents/IBISC/biorseo2/biorseo/data/modules/ISAURE/Motifs_version_initiale/motifs_beta.json";
string jsondssr = "/mnt/c/Users/natha/Documents/IBISC/biorseo2/biorseo/data/modules/ISAURE/Motifs_version_initiale/dssr2.json";
string out = "/mnt/c/Users/natha/Documents/IBISC/biorseo2/biorseo/data/modules/ISAURE/Motifs_derniere_version/motifs_fusion_beta.json";
add_pdb(jsonmotifs, jsondssr, out);
return 0;
}