1 #ifndef VIENNA_RNA_PACKAGE_PARAMS_H 2 #define VIENNA_RNA_PACKAGE_PARAMS_H 4 #ifdef VRNA_WARN_DEPRECATED 5 # if defined(__clang__) 6 # define DEPRECATED(func, msg) func __attribute__ ((deprecated("", msg))) 7 # elif defined(__GNUC__) 8 # define DEPRECATED(func, msg) func __attribute__ ((deprecated(msg))) 10 # define DEPRECATED(func, msg) func 13 # define DEPRECATED(func, msg) func 45 #define VRNA_GQUAD_MAX_STACK_SIZE 7 46 #define VRNA_GQUAD_MIN_STACK_SIZE 2 47 #define VRNA_GQUAD_MAX_LINKER_LENGTH 15 48 #define VRNA_GQUAD_MIN_LINKER_LENGTH 1 49 #define VRNA_GQUAD_MIN_BOX_SIZE ((4 * VRNA_GQUAD_MIN_STACK_SIZE) + \ 50 (3 * VRNA_GQUAD_MIN_LINKER_LENGTH)) 51 #define VRNA_GQUAD_MAX_BOX_SIZE ((4 * VRNA_GQUAD_MAX_STACK_SIZE) + \ 52 (3 * VRNA_GQUAD_MAX_LINKER_LENGTH)) 63 int mismatchExt[
NBPAIRS + 1][5][5];
64 int mismatchI[
NBPAIRS + 1][5][5];
65 int mismatch1nI[
NBPAIRS + 1][5][5];
66 int mismatch23I[
NBPAIRS + 1][5][5];
67 int mismatchH[
NBPAIRS + 1][5][5];
68 int mismatchM[
NBPAIRS + 1][5][5];
82 char Tetraloops[1401];
90 int gquad[VRNA_GQUAD_MAX_STACK_SIZE + 1][3 * VRNA_GQUAD_MAX_LINKER_LENGTH + 1];
91 int gquadLayerMismatch;
92 int gquadLayerMismatchMax;
108 double exphairpin[31];
110 double expinternal[
MAXLOOP + 1];
111 double expmismatchExt[
NBPAIRS + 1][5][5];
112 double expmismatchI[
NBPAIRS + 1][5][5];
113 double expmismatch23I[
NBPAIRS + 1][5][5];
114 double expmismatch1nI[
NBPAIRS + 1][5][5];
115 double expmismatchH[
NBPAIRS + 1][5][5];
116 double expmismatchM[
NBPAIRS + 1][5][5];
117 double expdangle5[
NBPAIRS + 1][5];
118 double expdangle3[
NBPAIRS + 1][5];
122 double expninio[5][
MAXLOOP + 1];
125 double expMLintern[
NBPAIRS + 1];
128 double expDuplexInit;
132 char Tetraloops[1401];
133 double expTriloop[40];
135 char Hexaloops[1801];
137 double expMultipleCA;
138 double expMultipleCB;
139 double expgquad[VRNA_GQUAD_MAX_STACK_SIZE + 1][3 * VRNA_GQUAD_MAX_LINKER_LENGTH + 1];
140 double expgquadLayerMismatch;
141 int gquadLayerMismatchMax;
368 unsigned int options);
371 #ifndef VRNA_DISABLE_BACKWARD_COMPATIBILITY 386 "Use vrna_params_copy() instead");
398 "Use vrna_params() instead");
429 "Use vrna_exp_params() instead");
442 "Use vrna_exp_params_copy() instead");
452 "Use vrna_exp_params_comparative() instead");
467 "Use vrna_exp_params_comparative() instead");
481 "Use vrna_params() instead");
501 "Usee vrna_params() instead");
503 DEPRECATED(
vrna_param_t *copy_parameters(
void),
"Use vrna_params_copy() instead");
505 DEPRECATED(
vrna_exp_param_t *scale_pf_parameters(
void),
"Use vrna_exp_params() instead");
506 DEPRECATED(
vrna_exp_param_t *copy_pf_param(
void),
"Use vrna_exp_params_copy() instead");
508 "Use vrna_exp_params_copy() instead");
vrna_param_t * vrna_params(vrna_md_t *md)
Get a data structure containing prescaled free energy parameters.
vrna_param_t * get_scaled_parameters(double temperature, vrna_md_t md)
Get precomputed energy contributions for all the known loop types.
vrna_md_t model_details
Model details to be used in the recursions.
Definition: basic.h:96
#define NBPAIRS
Definition: constants.h:25
double pf_scale
Scaling factor to avoid over-/underflows.
Definition: basic.h:144
Energy parameter constants.
vrna_md_t model_details
Model details to be used in the recursions.
Definition: basic.h:154
The most basic data structure required by many functions throughout the RNAlib.
Definition: fold_compound.h:132
double temperature
Temperature used for loop contribution scaling.
Definition: basic.h:146
vrna_exp_param_t * get_scaled_alipf_parameters(unsigned int n_seq)
Get precomputed Boltzmann factors of the loop type dependent energy contributions (alifold variant)
double temperature
Rescale energy parameters to a temperature in degC.
The model details data structure and its corresponding modifiers.
The datastructure that contains temperature scaled energy parameters.
Definition: basic.h:57
vrna_exp_param_t * vrna_exp_params_copy(vrna_exp_param_t *par)
Get a copy of the provided free energy parameters (provided as Boltzmann factors)
void vrna_exp_params_subst(vrna_fold_compound_t *vc, vrna_exp_param_t *params)
Update the energy parameters for subsequent partition function computations.
#define MAXLOOP
Definition: constants.h:29
char param_file[256]
The filename the parameters were derived from, or empty string if they represent the default.
Definition: basic.h:155
char param_file[256]
The filename the parameters were derived from, or empty string if they represent the default.
Definition: basic.h:97
vrna_param_t * vrna_params_copy(vrna_param_t *par)
Get a copy of the provided free energy parameters.
Various data structures and pre-processor macros.
void vrna_exp_params_rescale(vrna_fold_compound_t *vc, double *mfe)
Rescale Boltzmann factors for partition function computations.
The data structure that contains the complete model details used throughout the calculations.
Definition: model.h:180
double alpha
Scaling factor for the thermodynamic temperature.
Definition: basic.h:147
The data structure that contains temperature scaled Boltzmann weights of the energy parameters.
Definition: basic.h:103
double pf_scale
A scaling factor used by pf_fold() to avoid overflows.
vrna_exp_param_t * get_scaled_pf_parameters(void)
double temperature
Temperature used for loop contribution scaling.
Definition: basic.h:94
vrna_exp_param_t * vrna_exp_params_comparative(unsigned int n_seq, vrna_md_t *md)
Get a data structure containing prescaled free energy parameters already transformed to Boltzmann fac...
void vrna_exp_params_reset(vrna_fold_compound_t *vc, vrna_md_t *md_p)
Reset Boltzmann factors for partition function computations within a vrna_fold_compound_t according t...
vrna_exp_param_t * get_boltzmann_factor_copy(vrna_exp_param_t *parameters)
Get a copy of already precomputed Boltzmann factors.
vrna_exp_param_t * get_boltzmann_factors_ali(unsigned int n_seq, double temperature, double betaScale, vrna_md_t md, double pf_scale)
Get precomputed Boltzmann factors of the loop type dependent energy contributions (alifold variant) w...
vrna_exp_param_t * get_boltzmann_factors(double temperature, double betaScale, vrna_md_t md, double pf_scale)
Get precomputed Boltzmann factors of the loop type dependent energy contributions with independent th...
void vrna_params_reset(vrna_fold_compound_t *vc, vrna_md_t *md_p)
Reset free energy parameters within a vrna_fold_compound_t according to provided, or default model de...
int id
An identifier for the data structure.
Definition: basic.h:104
The Basic Fold Compound API.
vrna_exp_param_t * vrna_exp_params(vrna_md_t *md)
Get a data structure containing prescaled free energy parameters already transformed to Boltzmann fac...
vrna_param_t * scale_parameters(void)
Get precomputed energy contributions for all the known loop types.
void vrna_params_subst(vrna_fold_compound_t *vc, vrna_param_t *par)
Update/Reset energy parameters data structure within a vrna_fold_compound_t.