gquad.h
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#ifndef VIENNA_RNA_PACKAGE_GQUAD_H
#define VIENNA_RNA_PACKAGE_GQUAD_H
#include <ViennaRNA/data_structures.h>
#include <ViennaRNA/params.h>
#ifndef INLINE
#ifdef __GNUC__
# define INLINE inline
#else
# define INLINE
#endif
#endif
int E_gquad(int L,
int l[3],
vrna_param_t *P);
FLT_OR_DBL exp_E_gquad( int L,
int l[3],
vrna_exp_param_t *pf);
int E_gquad_ali(int i,
int L,
int l[3],
const short **S,
int n_seq,
vrna_param_t *P);
void E_gquad_ali_en( int i,
int L,
int l[3],
const short **S,
int n_seq,
int en[2],
vrna_param_t *P);
int *get_gquad_matrix(short *S, vrna_param_t *P);
int *get_gquad_ali_matrix(short *S_cons,
short **S,
int n_seq,
vrna_param_t *P);
FLT_OR_DBL *get_gquad_pf_matrix( short *S,
FLT_OR_DBL *scale,
vrna_exp_param_t *pf);
int **get_gquad_L_matrix( short *S,
int start,
int maxdist,
int **g,
vrna_param_t *P);
void vrna_gquad_mx_local_update( vrna_fold_compound_t *vc,
int start);
void get_gquad_pattern_mfe(short *S,
int i,
int j,
vrna_param_t *P,
int *L,
int l[3]);
void
get_gquad_pattern_exhaustive( short *S,
int i,
int j,
vrna_param_t *P,
int *L,
int *l,
int threshold);
void get_gquad_pattern_pf( short *S,
int i,
int j,
vrna_exp_param_t *pf,
int *L,
int l[3]);
plist *get_plist_gquad_from_pr( short *S,
int gi,
int gj,
FLT_OR_DBL *G,
FLT_OR_DBL *probs,
FLT_OR_DBL *scale,
vrna_exp_param_t *pf);
plist *get_plist_gquad_from_pr_max(short *S,
int gi,
int gj,
FLT_OR_DBL *G,
FLT_OR_DBL *probs,
FLT_OR_DBL *scale,
int *L,
int l[3],
vrna_exp_param_t *pf);
plist *get_plist_gquad_from_db( const char *structure,
float pr);
int get_gquad_count(short *S,
int i,
int j);
int get_gquad_layer_count(short *S,
int i,
int j);
int parse_gquad(const char *struc, int *L, int l[3]);
INLINE PRIVATE int backtrack_GQuad_IntLoop(int c,
int i,
int j,
int type,
short *S,
int *ggg,
int *index,
int *p,
int *q,
vrna_param_t *P);
INLINE PRIVATE int backtrack_GQuad_IntLoop_L(int c,
int i,
int j,
int type,
short *S,
int **ggg,
int maxdist,
int *p,
int *q,
vrna_param_t *P);
PRIVATE INLINE int
vrna_BT_gquad_mfe(vrna_fold_compound_t *vc,
int i,
int j,
vrna_bp_stack_t *bp_stack,
int *stack_count);
PRIVATE INLINE int
vrna_BT_gquad_int(vrna_fold_compound_t *vc,
int i,
int j,
int en,
vrna_bp_stack_t *bp_stack,
int *stack_count);
PRIVATE INLINE int
vrna_BT_gquad_mfe(vrna_fold_compound_t *vc,
int i,
int j,
vrna_bp_stack_t *bp_stack,
int *stack_count){
/*
here we do some fancy stuff to backtrace the stacksize and linker lengths
of the g-quadruplex that should reside within position i,j
*/
short *S;
int l[3], L, a;
vrna_param_t *P;
P = vc->params;
S = vc->sequence_encoding2;
L = -1;
get_gquad_pattern_mfe(S, i, j, P, &L, l);
if(L != -1){
/* fill the G's of the quadruplex into base_pair2 */
for(a=0;a<L;a++){
bp_stack[++(*stack_count)].i = i+a;
bp_stack[(*stack_count)].j = i+a;
bp_stack[++(*stack_count)].i = i+L+l[0]+a;
bp_stack[(*stack_count)].j = i+L+l[0]+a;
bp_stack[++(*stack_count)].i = i+L+l[0]+L+l[1]+a;
bp_stack[(*stack_count)].j = i+L+l[0]+L+l[1]+a;
bp_stack[++(*stack_count)].i = i+L+l[0]+L+l[1]+L+l[2]+a;
bp_stack[(*stack_count)].j = i+L+l[0]+L+l[1]+L+l[2]+a;
}
return 1;
} else {
return 0;
}
}
PRIVATE INLINE int
vrna_BT_gquad_int(vrna_fold_compound_t *vc,
int i,
int j,
int en,
vrna_bp_stack_t *bp_stack,
int *stack_count){
int energy, dangles, *idx, ij, p, q, maxl, minl, c0, l1, *rtype, *ggg;
unsigned char type;
char *ptype;
short si, sj, *S, *S1;
vrna_param_t *P;
vrna_md_t *md;
idx = vc->jindx;
ij = idx[j] + i;
P = vc->params;
md = &(P->model_details);
ptype = vc->ptype;
rtype = &(md->rtype[0]);
type = rtype[(unsigned char)ptype[ij]];
S1 = vc->sequence_encoding;
S = vc->sequence_encoding2;
dangles = md->dangles;
si = S1[i + 1];
sj = S1[j - 1];
ggg = vc->matrices->ggg;
energy = 0;
if(dangles == 2)
energy += P->mismatchI[type][si][sj];
if(type > 2)
energy += P->TerminalAU;
p = i + 1;
if(S1[p] == 3){
if(p < j - VRNA_GQUAD_MIN_BOX_SIZE){
minl = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minl = MAX2(c0, minl);
c0 = j - 3;
maxl = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxl = MIN2(c0, maxl);
for(q = minl; q < maxl; q++){
if(S[q] != 3) continue;
if(en == energy + ggg[idx[q] + p] + P->internal_loop[j - q - 1]){
return vrna_BT_gquad_mfe(vc, p, q, bp_stack, stack_count);
}
}
}
}
for(p = i + 2;
p < j - VRNA_GQUAD_MIN_BOX_SIZE;
p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S1[p] != 3) continue;
minl = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minl = MAX2(c0, minl);
c0 = j - 1;
maxl = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxl = MIN2(c0, maxl);
for(q = minl; q < maxl; q++){
if(S1[q] != 3) continue;
if(en == energy + ggg[idx[q] + p] + P->internal_loop[l1 + j - q - 1]){
return vrna_BT_gquad_mfe(vc, p, q, bp_stack, stack_count);
}
}
}
q = j - 1;
if(S1[q] == 3)
for(p = i + 4;
p < j - VRNA_GQUAD_MIN_BOX_SIZE;
p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S1[p] != 3) continue;
if(en == energy + ggg[idx[q] + p] + P->internal_loop[l1]){
return vrna_BT_gquad_mfe(vc, p, q, bp_stack, stack_count);
}
}
return 0;
}
INLINE PRIVATE int backtrack_GQuad_IntLoop(int c,
int i,
int j,
int type,
short *S,
int *ggg,
int *index,
int *p,
int *q,
vrna_param_t *P){
int energy, dangles, k, l, maxl, minl, c0, l1;
short si, sj;
dangles = P->model_details.dangles;
si = S[i + 1];
sj = S[j - 1];
energy = 0;
if(dangles == 2)
energy += P->mismatchI[type][si][sj];
if(type > 2)
energy += P->TerminalAU;
k = i + 1;
if(S[k] == 3){
if(k < j - VRNA_GQUAD_MIN_BOX_SIZE){
minl = j - i + k - MAXLOOP - 2;
c0 = k + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minl = MAX2(c0, minl);
c0 = j - 3;
maxl = k + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxl = MIN2(c0, maxl);
for(l = minl; l < maxl; l++){
if(S[l] != 3) continue;
if(c == energy + ggg[index[l] + k] + P->internal_loop[j - l - 1]){
*p = k; *q = l;
return 1;
}
}
}
}
for(k = i + 2;
k < j - VRNA_GQUAD_MIN_BOX_SIZE;
k++){
l1 = k - i - 1;
if(l1>MAXLOOP) break;
if(S[k] != 3) continue;
minl = j - i + k - MAXLOOP - 2;
c0 = k + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minl = MAX2(c0, minl);
c0 = j - 1;
maxl = k + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxl = MIN2(c0, maxl);
for(l = minl; l < maxl; l++){
if(S[l] != 3) continue;
if(c == energy + ggg[index[l] + k] + P->internal_loop[l1 + j - l - 1]){
*p = k; *q = l;
return 1;
}
}
}
l = j - 1;
if(S[l] == 3)
for(k = i + 4;
k < j - VRNA_GQUAD_MIN_BOX_SIZE;
k++){
l1 = k - i - 1;
if(l1>MAXLOOP) break;
if(S[k] != 3) continue;
if(c == energy + ggg[index[l] + k] + P->internal_loop[l1]){
*p = k; *q = l;
return 1;
}
}
return 0;
}
INLINE PRIVATE int backtrack_GQuad_IntLoop_L(int c,
int i,
int j,
int type,
short *S,
int **ggg,
int maxdist,
int *p,
int *q,
vrna_param_t *P){
int energy, dangles, k, l, maxl, minl, c0, l1;
short si, sj;
dangles = P->model_details.dangles;
si = S[i + 1];
sj = S[j - 1];
energy = 0;
if(dangles == 2)
energy += P->mismatchI[type][si][sj];
if(type > 2)
energy += P->TerminalAU;
k = i + 1;
if(S[k] == 3){
if(k < j - VRNA_GQUAD_MIN_BOX_SIZE){
minl = j - i + k - MAXLOOP - 2;
c0 = k + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minl = MAX2(c0, minl);
c0 = j - 3;
maxl = k + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxl = MIN2(c0, maxl);
for(l = minl; l < maxl; l++){
if(S[l] != 3) continue;
if(c == energy + ggg[k][l - k] + P->internal_loop[j - l - 1]){
*p = k; *q = l;
return 1;
}
}
}
}
for(k = i + 2;
k < j - VRNA_GQUAD_MIN_BOX_SIZE;
k++){
l1 = k - i - 1;
if(l1>MAXLOOP) break;
if(S[k] != 3) continue;
minl = j - i + k - MAXLOOP - 2;
c0 = k + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minl = MAX2(c0, minl);
c0 = j - 1;
maxl = k + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxl = MIN2(c0, maxl);
for(l = minl; l < maxl; l++){
if(S[l] != 3) continue;
if(c == energy + ggg[k][l - k] + P->internal_loop[l1 + j - l - 1]){
*p = k; *q = l;
return 1;
}
}
}
l = j - 1;
if(S[l] == 3)
for(k = i + 4;
k < j - VRNA_GQUAD_MIN_BOX_SIZE;
k++){
l1 = k - i - 1;
if(l1>MAXLOOP) break;
if(S[k] != 3) continue;
if(c == energy + ggg[k][l - k] + P->internal_loop[l1]){
*p = k; *q = l;
return 1;
}
}
return 0;
}
PRIVATE INLINE
int
E_GQuad_IntLoop(int i,
int j,
int type,
short *S,
int *ggg,
int *index,
vrna_param_t *P){
int energy, ge, dangles, p, q, l1, minq, maxq, c0;
short si, sj;
dangles = P->model_details.dangles;
si = S[i + 1];
sj = S[j - 1];
energy = 0;
if(dangles == 2)
energy += P->mismatchI[type][si][sj];
if(type > 2)
energy += P->TerminalAU;
ge = INF;
p = i + 1;
if(S[p] == 3){
if(p < j - VRNA_GQUAD_MIN_BOX_SIZE){
minq = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minq = MAX2(c0, minq);
c0 = j - 3;
maxq = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxq = MIN2(c0, maxq);
for(q = minq; q < maxq; q++){
if(S[q] != 3) continue;
c0 = energy + ggg[index[q] + p] + P->internal_loop[j - q - 1];
ge = MIN2(ge, c0);
}
}
}
for(p = i + 2;
p < j - VRNA_GQUAD_MIN_BOX_SIZE;
p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S[p] != 3) continue;
minq = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minq = MAX2(c0, minq);
c0 = j - 1;
maxq = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxq = MIN2(c0, maxq);
for(q = minq; q < maxq; q++){
if(S[q] != 3) continue;
c0 = energy + ggg[index[q] + p] + P->internal_loop[l1 + j - q - 1];
ge = MIN2(ge, c0);
}
}
q = j - 1;
if(S[q] == 3)
for(p = i + 4;
p < j - VRNA_GQUAD_MIN_BOX_SIZE;
p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S[p] != 3) continue;
c0 = energy + ggg[index[q] + p] + P->internal_loop[l1];
ge = MIN2(ge, c0);
}
#if 0
/* here comes the additional stuff for the odd dangle models */
if(dangles % 1){
en1 = energy + P->dangle5[type][si];
en2 = energy + P->dangle5[type][sj];
en3 = energy + P->mismatchI[type][si][sj];
/* first case with 5' dangle (i.e. j-1) onto enclosing pair */
p = i + 1;
if(S[p] == 3){
if(p < j - VRNA_GQUAD_MIN_BOX_SIZE){
minq = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minq = MAX2(c0, minq);
c0 = j - 4;
maxq = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxq = MIN2(c0, maxq);
for(q = minq; q < maxq; q++){
if(S[q] != 3) continue;
c0 = en1 + ggg[index[q] + p] + P->internal_loop[j - q - 1];
ge = MIN2(ge, c0);
}
}
}
for(p = i + 2; p < j - VRNA_GQUAD_MIN_BOX_SIZE; p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S[p] != 3) continue;
minq = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minq = MAX2(c0, minq);
c0 = j - 2;
maxq = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxq = MIN2(c0, maxq);
for(q = minq; q < maxq; q++){
if(S[q] != 3) continue;
c0 = en1 + ggg[index[q] + p] + P->internal_loop[l1 + j - q - 1];
ge = MIN2(ge, c0);
}
}
q = j - 2;
if(S[q] == 3)
for(p = i + 4; p < j - VRNA_GQUAD_MIN_BOX_SIZE; p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S[p] != 3) continue;
c0 = en1 + ggg[index[q] + p] + P->internal_loop[l1 + 1];
ge = MIN2(ge, c0);
}
/* second case with 3' dangle (i.e. i+1) onto enclosing pair */
}
#endif
return ge;
}
PRIVATE INLINE
int *
E_GQuad_IntLoop_exhaustive( int i,
int j,
int **p_p,
int **q_p,
int type,
short *S,
int *ggg,
int threshold,
int *index,
vrna_param_t *P){
int energy, *ge, dangles, p, q, l1, minq, maxq, c0;
short si, sj;
int cnt = 0;
dangles = P->model_details.dangles;
si = S[i + 1];
sj = S[j - 1];
energy = 0;
if(dangles == 2)
energy += P->mismatchI[type][si][sj];
if(type > 2)
energy += P->TerminalAU;
/* guess how many gquads are possible in interval [i+1,j-1] */
*p_p = (int *)vrna_alloc(sizeof(int) * 256);
*q_p = (int *)vrna_alloc(sizeof(int) * 256);
ge = (int *)vrna_alloc(sizeof(int) * 256);
p = i + 1;
if(S[p] == 3){
if(p < j - VRNA_GQUAD_MIN_BOX_SIZE){
minq = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minq = MAX2(c0, minq);
c0 = j - 3;
maxq = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxq = MIN2(c0, maxq);
for(q = minq; q < maxq; q++){
if(S[q] != 3) continue;
c0 = energy + ggg[index[q] + p] + P->internal_loop[j - q - 1];
if(c0 <= threshold){
ge[cnt] = energy + P->internal_loop[j - q - 1];
(*p_p)[cnt] = p;
(*q_p)[cnt++] = q;
}
}
}
}
for(p = i + 2;
p < j - VRNA_GQUAD_MIN_BOX_SIZE;
p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S[p] != 3) continue;
minq = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minq = MAX2(c0, minq);
c0 = j - 1;
maxq = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxq = MIN2(c0, maxq);
for(q = minq; q < maxq; q++){
if(S[q] != 3) continue;
c0 = energy + ggg[index[q] + p] + P->internal_loop[l1 + j - q - 1];
if(c0 <= threshold){
ge[cnt] = energy + P->internal_loop[l1 + j - q - 1];
(*p_p)[cnt] = p;
(*q_p)[cnt++] = q;
}
}
}
q = j - 1;
if(S[q] == 3)
for(p = i + 4;
p < j - VRNA_GQUAD_MIN_BOX_SIZE;
p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S[p] != 3) continue;
c0 = energy + ggg[index[q] + p] + P->internal_loop[l1];
if(c0 <= threshold){
ge[cnt] = energy + P->internal_loop[l1];
(*p_p)[cnt] = p;
(*q_p)[cnt++] = q;
}
}
(*p_p)[cnt] = -1;
return ge;
}
PRIVATE INLINE
int
E_GQuad_IntLoop_L(int i,
int j,
int type,
short *S,
int **ggg,
int maxdist,
vrna_param_t *P){
int energy, ge, dangles, p, q, l1, minq, maxq, c0;
short si, sj;
dangles = P->model_details.dangles;
si = S[i + 1];
sj = S[j - 1];
energy = 0;
if(dangles == 2)
energy += P->mismatchI[type][si][sj];
if(type > 2)
energy += P->TerminalAU;
ge = INF;
p = i + 1;
if(S[p] == 3){
if(p < j - VRNA_GQUAD_MIN_BOX_SIZE){
minq = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minq = MAX2(c0, minq);
c0 = j - 3;
maxq = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxq = MIN2(c0, maxq);
for(q = minq; q < maxq; q++){
if(S[q] != 3) continue;
c0 = energy + ggg[p][q-p] + P->internal_loop[j - q - 1];
ge = MIN2(ge, c0);
}
}
}
for(p = i + 2;
p < j - VRNA_GQUAD_MIN_BOX_SIZE;
p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S[p] != 3) continue;
minq = j - i + p - MAXLOOP - 2;
c0 = p + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minq = MAX2(c0, minq);
c0 = j - 1;
maxq = p + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxq = MIN2(c0, maxq);
for(q = minq; q < maxq; q++){
if(S[q] != 3) continue;
c0 = energy + ggg[p][q - p] + P->internal_loop[l1 + j - q - 1];
ge = MIN2(ge, c0);
}
}
q = j - 1;
if(S[q] == 3)
for(p = i + 4;
p < j - VRNA_GQUAD_MIN_BOX_SIZE;
p++){
l1 = p - i - 1;
if(l1>MAXLOOP) break;
if(S[p] != 3) continue;
c0 = energy + ggg[p][q - p] + P->internal_loop[l1];
ge = MIN2(ge, c0);
}
return ge;
}
PRIVATE INLINE
FLT_OR_DBL
exp_E_GQuad_IntLoop(int i,
int j,
int type,
short *S,
FLT_OR_DBL *G,
int *index,
vrna_exp_param_t *pf){
int k, l, minl, maxl, u, r;
FLT_OR_DBL q, qe;
double *expintern;
short si, sj;
q = 0;
si = S[i + 1];
sj = S[j - 1];
qe = (FLT_OR_DBL)pf->expmismatchI[type][si][sj];
expintern = pf->expinternal;
if(type > 2)
qe *= (FLT_OR_DBL)pf->expTermAU;
k = i + 1;
if(S[k] == 3){
if(k < j - VRNA_GQUAD_MIN_BOX_SIZE){
minl = j - i + k - MAXLOOP - 2;
u = k + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minl = MAX2(u, minl);
u = j - 3;
maxl = k + VRNA_GQUAD_MAX_BOX_SIZE + 1;
maxl = MIN2(u, maxl);
for(l = minl; l < maxl; l++){
if(S[l] != 3) continue;
if(G[index[k]-l] == 0.) continue;
q += qe * G[index[k]-l] * (FLT_OR_DBL)expintern[j - l - 1];
}
}
}
for(k = i + 2;
k <= j - VRNA_GQUAD_MIN_BOX_SIZE;
k++){
u = k - i - 1;
if(u > MAXLOOP) break;
if(S[k] != 3) continue;
minl = j - i + k - MAXLOOP - 2;
r = k + VRNA_GQUAD_MIN_BOX_SIZE - 1;
minl = MAX2(r, minl);
maxl = k + VRNA_GQUAD_MAX_BOX_SIZE + 1;
r = j - 1;
maxl = MIN2(r, maxl);
for(l = minl; l < maxl; l++){
if(S[l] != 3) continue;
if(G[index[k]-l] == 0.) continue;
q += qe * G[index[k]-l] * (FLT_OR_DBL)expintern[u + j - l - 1];
}
}
l = j - 1;
if(S[l] == 3)
for(k = i + 4; k < j - VRNA_GQUAD_MIN_BOX_SIZE; k++){
u = k - i - 1;
if(u>MAXLOOP) break;
if(S[k] != 3) continue;
if(G[index[k]-l] == 0.) continue;
q += qe * G[index[k]-l] * (FLT_OR_DBL)expintern[u];
}
return q;
}
#endif
vrna_alloc
void * vrna_alloc(unsigned size)
Allocate space safely.
vrna_fc_s::ptype
char * ptype
Pair type array.
Definition: data_structures.h:460
vrna_fc_s::sequence_encoding
short * sequence_encoding
Numerical encoding of the input sequence.
Definition: data_structures.h:455
MAXLOOP
#define MAXLOOP
Definition: energy_const.h:28
vrna_param_s::model_details
vrna_md_t model_details
Model details to be used in the recursions.
Definition: params.h:88
FLT_OR_DBL
double FLT_OR_DBL
Typename for floating point number in partition function computations.
Definition: data_structures.h:39
vrna_fc_s
The most basic data structure required by many functions throughout the RNAlib.
Definition: data_structures.h:390
vrna_param_s
The datastructure that contains temperature scaled energy parameters.
Definition: params.h:50
MIN2
#define MIN2(A, B)
Get the minimum of two comparable values.
Definition: utils.h:112
vrna_fc_s::jindx
int * jindx
DP matrix accessor.
Definition: data_structures.h:417
backtrack_GQuad_IntLoop_L
PRIVATE int backtrack_GQuad_IntLoop_L(int c, int i, int j, int type, short *S, int **ggg, int maxdist, int *p, int *q, vrna_param_t *P)
Definition: gquad.h:431
data_structures.h
vrna_md_s::rtype
int rtype[8]
Reverse base pair type array.
Definition: model.h:240
vrna_md_s
The data structure that contains the complete model details used throughout the calculations.
Definition: model.h:187
INF
#define INF
Definition: energy_const.h:16
params.h
vrna_exp_param_s
The datastructure that contains temperature scaled Boltzmann weights of the energy parameters...
Definition: params.h:94
MAX2
#define MAX2(A, B)
Get the maximum of two comparable values.
Definition: utils.h:117
vrna_plist_s
this datastructure is used as input parameter in functions of PS_dot.h and others ...
Definition: data_structures.h:164
vrna_fc_s::params
vrna_param_t * params
The precomputed free energy contributions for each type of loop.
Definition: data_structures.h:413
vrna_fc_s::matrices
vrna_mx_mfe_t * matrices
The MFE DP matrices.
Definition: data_structures.h:410
get_gquad_matrix
int * get_gquad_matrix(short *S, vrna_param_t *P)
Get a triangular matrix prefilled with minimum free energy contributions of G-quadruplexes.
vrna_md_s::dangles
int dangles
Specifies the dangle model used in any energy evaluation (0,1,2 or 3)
Definition: model.h:190
vrna_bp_stack_s
Base pair stack element.
Definition: data_structures.h:192
pr
FLT_OR_DBL * pr
A pointer to the base pair probability matrix.
parse_gquad
int parse_gquad(const char *struc, int *L, int l[3])
backtrack_GQuad_IntLoop
PRIVATE int backtrack_GQuad_IntLoop(int c, int i, int j, int type, short *S, int *ggg, int *index, int *p, int *q, vrna_param_t *P)
Definition: gquad.h:333
dangles
int dangles
Switch the energy model for dangling end contributions (0, 1, 2, 3)
vrna_mx_mfe_s::ggg
int * ggg
Energies of g-quadruplexes.
Definition: dp_matrices.h:66