part_func_co.h
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#ifndef VIENNA_RNA_PACKAGE_PART_FUNC_CO_H
#define VIENNA_RNA_PACKAGE_PART_FUNC_CO_H
#ifdef DEPRECATION_WARNINGS
# ifdef __GNUC__
# define DEPRECATED(func) func __attribute__ ((deprecated))
# else
# define DEPRECATED(func) func
# endif
#else
# define DEPRECATED(func) func
#endif
/* make this interface backward compatible with RNAlib < 2.2.0 */
#define VRNA_BACKWARD_COMPAT
typedef struct vrna_dimer_pf_s vrna_dimer_pf_t;
typedef struct vrna_dimer_conc_s vrna_dimer_conc_t;
#ifdef VRNA_BACKWARD_COMPAT
typedef struct vrna_dimer_pf_s cofoldF;
typedef struct vrna_dimer_conc_s ConcEnt;
#endif
#include <ViennaRNA/data_structures.h>
#include <ViennaRNA/params.h>
extern int mirnatog;
extern double F_monomer[2];
struct vrna_dimer_pf_s {
/* free energies for: */
double F0AB;
double FAB;
double FcAB;
double FA;
double FB;
};
struct vrna_dimer_conc_s {
double A0;
double B0;
double ABc;
double AAc;
double BBc;
double Ac;
double Bc;
};
vrna_dimer_pf_t
vrna_pf_dimer(vrna_fold_compound_t *vc,
char *structure);
void vrna_pf_dimer_probs(double FAB,
double FA,
double FB,
vrna_plist_t *prAB,
const vrna_plist_t *prA,
const vrna_plist_t *prB,
int Alength,
const vrna_exp_param_t *exp_params);
vrna_dimer_conc_t *vrna_pf_dimer_concentrations(double FcAB,
double FcAA,
double FcBB,
double FEA,
double FEB,
const double *startconc,
const vrna_exp_param_t *exp_params);
/*
#################################################
# DEPRECATED FUNCTIONS #
#################################################
*/
DEPRECATED(vrna_dimer_pf_t co_pf_fold( char *sequence, char *structure));
DEPRECATED(vrna_dimer_pf_t co_pf_fold_par(char *sequence, char *structure, vrna_exp_param_t *parameters, int calculate_bppm, int is_constrained));
DEPRECATED(vrna_plist_t *get_plist( vrna_plist_t *pl,
int length,
double cut_off));
DEPRECATED(void compute_probabilities(double FAB, double FEA, double FEB, vrna_plist_t *prAB, vrna_plist_t *prA, vrna_plist_t *prB, int Alength));
DEPRECATED(vrna_dimer_conc_t *get_concentrations(double FEAB, double FEAA, double FEBB, double FEA, double FEB, double *startconc));
DEPRECATED(void init_co_pf_fold(int length));
DEPRECATED(FLT_OR_DBL *export_co_bppm(void));
DEPRECATED(void free_co_pf_arrays(void));
DEPRECATED(void update_co_pf_params(int length));
DEPRECATED(void update_co_pf_params_par(int length, vrna_exp_param_t *parameters));
#endif
vrna_dimer_conc_s::A0
double A0
start concentration A
Definition: part_func_co.h:100
compute_probabilities
void compute_probabilities(double FAB, double FEA, double FEB, vrna_plist_t *prAB, vrna_plist_t *prA, vrna_plist_t *prB, int Alength)
Compute Boltzmann probabilities of dimerization without homodimers.
vrna_dimer_conc_s::B0
double B0
start concentration B
Definition: part_func_co.h:101
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_dimer_conc_s::ABc
double ABc
End concentration AB.
Definition: part_func_co.h:102
update_co_pf_params
void update_co_pf_params(int length)
Recalculate energy parameters.
export_co_bppm
FLT_OR_DBL * export_co_bppm(void)
Get a pointer to the base pair probability array.
vrna_dimer_pf_s::F0AB
double F0AB
Null model without DuplexInit.
Definition: part_func_co.h:89
vrna_dimer_pf_s::FA
double FA
monomer A
Definition: part_func_co.h:92
vrna_dimer_conc_s
Definition: part_func_co.h:99
mirnatog
int mirnatog
Toggles no intrabp in 2nd mol.
get_plist
vrna_plist_t * get_plist(vrna_plist_t *pl, int length, double cut_off)
data_structures.h
params.h
vrna_exp_param_s
The datastructure that contains temperature scaled Boltzmann weights of the energy parameters...
Definition: params.h:94
vrna_pf_dimer
vrna_dimer_pf_t vrna_pf_dimer(vrna_fold_compound_t *vc, char *structure)
Calculate partition function and base pair probabilities of nucleic acid/nucleic acid dimers...
init_co_pf_fold
void init_co_pf_fold(int length)
vrna_dimer_pf_s::FB
double FB
monomer B
Definition: part_func_co.h:93
co_pf_fold_par
vrna_dimer_pf_t co_pf_fold_par(char *sequence, char *structure, vrna_exp_param_t *parameters, int calculate_bppm, int is_constrained)
Calculate partition function and base pair probabilities.
vrna_plist_s
this datastructure is used as input parameter in functions of PS_dot.h and others ...
Definition: data_structures.h:164
update_co_pf_params_par
void update_co_pf_params_par(int length, vrna_exp_param_t *parameters)
Recalculate energy parameters.
vrna_pf_dimer_probs
void vrna_pf_dimer_probs(double FAB, double FA, double FB, vrna_plist_t *prAB, const vrna_plist_t *prA, const vrna_plist_t *prB, int Alength, const vrna_exp_param_t *exp_params)
Compute Boltzmann probabilities of dimerization without homodimers.
vrna_pf_dimer_concentrations
vrna_dimer_conc_t * vrna_pf_dimer_concentrations(double FcAB, double FcAA, double FcBB, double FEA, double FEB, const double *startconc, const vrna_exp_param_t *exp_params)
Given two start monomer concentrations a and b, compute the concentrations in thermodynamic equilibri...
get_concentrations
vrna_dimer_conc_t * get_concentrations(double FEAB, double FEAA, double FEBB, double FEA, double FEB, double *startconc)
Given two start monomer concentrations a and b, compute the concentrations in thermodynamic equilibri...
free_co_pf_arrays
void free_co_pf_arrays(void)
Free the memory occupied by co_pf_fold()
vrna_dimer_pf_s::FcAB
double FcAB
true hybrid states only
Definition: part_func_co.h:91
vrna_dimer_pf_s
Definition: part_func_co.h:87
F_monomer
double F_monomer[2]
Free energies of the two monomers.
co_pf_fold
vrna_dimer_pf_t co_pf_fold(char *sequence, char *structure)
Calculate partition function and base pair probabilities.
vrna_dimer_pf_s::FAB
double FAB
all states with DuplexInit correction
Definition: part_func_co.h:90