diff --git a/modules/bindings/src/tmalign/TMalign.h b/modules/bindings/src/tmalign/TMalign.h index 79abc61af1f744ae16032b5a42f1d83bee2ee63c..08caeec3a2b97f6cdb49a1a7d22b660b2c60b2eb 100644 --- a/modules/bindings/src/tmalign/TMalign.h +++ b/modules/bindings/src/tmalign/TMalign.h @@ -794,7 +794,7 @@ bool overlap(const int a1,const int b1,const int c1,const int d1, void sec_str(int len,char *seq, const vector<vector<bool> >&bp, int a, int b,int &c, int &d) { - int i,j; + int i; for (i=0;i<len;i++) { @@ -811,8 +811,8 @@ void sec_str(int len,char *seq, const vector<vector<bool> >&bp, * 1->unpair, 2->paired with upstream, 3->paired with downstream */ void make_sec(char *seq, double **x, int len, int *sec,const string atom_opt) { - int ii,jj,i,j; - + int ii,jj,j; + unsigned int i; float lb=12.5; // lower bound for " C3'" float ub=15.0; // upper bound for " C3'" if (atom_opt==" C4'") {lb=14.0;ub=16.0;} @@ -825,7 +825,7 @@ void make_sec(char *seq, double **x, int len, int *sec,const string atom_opt) vector<bool> bp_tmp(len,false); vector<vector<bool> > bp(len,bp_tmp); bp_tmp.clear(); - for (i=0; i<len; i++) + for (i=0;(int) i<len; i++) { sec[i]=1; for (j=i+1; j<len; j++) @@ -843,7 +843,7 @@ void make_sec(char *seq, double **x, int len, int *sec,const string atom_opt) // From 5' to 3': A0 C0 D0 B0: A0 paired to B0, C0 paired to D0 vector<int> A0,B0,C0,D0; - for (i=0; i<len-2; i++) + for (i=0;(int) i<len-2; i++) { for (j=i+3; j<len; j++) { @@ -858,8 +858,8 @@ void make_sec(char *seq, double **x, int len, int *sec,const string atom_opt) } } - int sign; - for (i=0;i<A0.size();i++) + //int sign; + for (i=0; i<A0.size();i++) { /* sign=0; @@ -1483,8 +1483,8 @@ void output_superpose(const string filename, const char *fname_super, double x1[3]; // after transform /* for PDBx/mmCIF only */ - map<string,int> _atom_site; - int atom_site_pos; + map<string,unsigned int> _atom_site; + unsigned int atom_site_pos; vector<string> line_vec; while (compress_type?fin_gz.good():fin.good()) @@ -1545,7 +1545,7 @@ void output_superpose(const string filename, const char *fname_super, transform(t, u, x, x1); for (atom_site_pos=0; atom_site_pos<_atom_site.size(); atom_site_pos++) - { + { if (atom_site_pos==_atom_site["Cartn_x"]) buf<<setiosflags(ios::fixed)<<setprecision(3) <<setw(8)<<x1[0]<<' '; @@ -2324,7 +2324,6 @@ int TMalign_main(double **xa, double **ya, TM2 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t, u, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, score_d8, d0); - double Lnorm_d0; if (a_opt>0) { //normalized by average length of structures A, B @@ -2360,7 +2359,6 @@ int TMalign_main(double **xa, double **ya, d0_out=d0_scale; d0_0=d0_scale; //Lnorm_0=ylen; - Lnorm_d0=Lnorm_0; local_d0_search = d0_search; TM5 = TMscore8_search(r1, r2, xtm, ytm, xt, n_ali8, t0, u0, simplify_step, score_sum_method, &rmsd, local_d0_search, Lnorm, diff --git a/modules/bindings/src/tmalign/basic_fun.h b/modules/bindings/src/tmalign/basic_fun.h index 8274428ee8d56b061180855f6205df214ed32e49..3dadccc30faf0dde5403b9adc123d2cf376bb867 100644 --- a/modules/bindings/src/tmalign/basic_fun.h +++ b/modules/bindings/src/tmalign/basic_fun.h @@ -124,7 +124,7 @@ void split(const string &line, vector<string> &line_vec, const char delimiter=' ') { bool within_word = false; - for (int pos=0;pos<line.size();pos++) + for (unsigned int pos=0;pos<line.size();pos++) { if (line[pos]==delimiter) { @@ -276,7 +276,7 @@ size_t get_PDB_lines(const string filename, chainID_list.push_back(i8_stream.str()); PDB_lines.push_back(tmp_str_vec); mol_vec.push_back(0); - for (i=0;i<L;i++) + for (i=0;(int) i<L;i++) { if (compress_type) fin_gz>>x>>y>>z; else fin >>x>>y>>z; @@ -294,7 +294,6 @@ size_t get_PDB_lines(const string filename, else if (infmt_opt==2) // xyz format { int L=0; - char A; stringstream i8_stream; while (compress_type?fin_gz.good():fin.good()) { @@ -309,7 +308,7 @@ size_t get_PDB_lines(const string filename, chainID_list.push_back(':'+line.substr(0,i)); PDB_lines.push_back(tmp_str_vec); mol_vec.push_back(0); - for (i=0;i<L;i++) + for (i=0;(int) i<L;i++) { if (compress_type) getline(fin_gz, line); else getline(fin, line); @@ -511,7 +510,7 @@ size_t get_FASTA_lines(const string filename, { string line; vector<string> tmp_str_vec; - int l; + unsigned int l; int compress_type=0; // uncompressed file ifstream fin; @@ -640,7 +639,7 @@ int extract_aln_from_resi(vector<string> &sequence, char *seqx, char *seqy, int read_PDB(const vector<string> &PDB_lines, double **a, char *seq, vector<string> &resi_vec, const int byresi_opt) { - int i; + unsigned int i; for (i=0;i<PDB_lines.size();i++) { a[i][0] = atof(PDB_lines[i].substr(30, 8).c_str()); @@ -733,7 +732,7 @@ void read_user_alignment(vector<string>&sequence, const string &fname_lign, if (I_opt) { int aligned_resNum=0; - for (int i=0;i<sequence[0].size();i++) + for (unsigned int i=0;i<sequence[0].size();i++) aligned_resNum+=(sequence[0][i]!='-' && sequence[1][i]!='-'); if (aligned_resNum<3) PrintErrorAndQuit("ERROR! Superposition is undefined for <3 aligned residues.");