Revision 65e147fc67310f2f53bbe1c8fc89ab94b02570dc authored by Ronny Lorenz on 04 May 2015, 13:34:04 UTC, committed by Ronny Lorenz on 04 May 2015, 13:34:04 UTC
1 parent 48c40ba
fold_vars.h
#ifndef __VIENNA_RNA_PACKAGE_FOLD_VARS_H__
#define __VIENNA_RNA_PACKAGE_FOLD_VARS_H__
#include "data_structures.h"
/**
* \file fold_vars.h
* \brief Here all all declarations of the global variables used throughout RNAlib
*/
#define PUBLIC
#define PRIVATE static
/**
* \brief Global switch to activate/deactivate folding with structure constraints
*/
extern int fold_constrained;
/**
* \brief Global switch to avoid/allow helices of length 1
*
* Disallow all pairs which can only occur as lonely pairs (i.e. as helix
* of length 1). This avoids lonely base pairs in the predicted structures in
* most cases.
*/
extern int noLonelyPairs;
/**
* \brief Switch the energy model for dangling end contributions (0, 1, 2, 3)
*
* If set to 0 no stabilizing energies are assigned to bases adjacent to
* helices in free ends and multiloops (so called dangling ends). Normally
* (dangles = 1) dangling end energies are assigned only to unpaired
* bases and a base cannot participate simultaneously in two dangling ends. In
* the partition function algorithm pf_fold() these checks are neglected.
* If #dangles is set to 2, all folding routines will follow this convention.
* This treatment of dangling ends gives more favorable energies to helices
* directly adjacent to one another, which can be beneficial since such
* helices often do engage in stabilizing interactions through co-axial
* stacking.\n
* If dangles = 3 co-axial stacking is explicitly included for
* adjacent helices in mutli-loops. The option affects only mfe folding
* and energy evaluation (fold() and energy_of_structure()), as
* well as suboptimal folding (subopt()) via re-evaluation of energies.
* Co-axial stacking with one intervening mismatch is not considered so far.
*
* Default is 2 in most algorithms, partition function algorithms can only handle 0 and 2
*/
extern int dangles;
/**
* \brief Global switch to forbid/allow GU base pairs at all
*/
extern int noGU;
/**
* \brief GU allowed only inside stacks if set to 1
*/
extern int no_closingGU;
/**
* \brief Include special stabilizing energies for some tri-, tetra- and hexa-loops;
*
* default is 1.
*/
extern int tetra_loop;
/**
* \brief 0 = BP; 1=any mit GC; 2=any mit AU-parameter
*
* If set to 1 or 2: fold sequences from an artificial alphabet ABCD..., where A
* pairs B, C pairs D, etc. using either GC (1) or AU parameters (2);
* default is 0, you probably don't want to change it.
*/
extern int energy_set;
/**
* \brief backward compatibility variable.. this does not effect anything
*/
extern int circ;
/**
* \brief generate comma seperated output
*/
extern int csv;
/**
* use old alifold energies (with gaps)
*/
extern int oldAliEn;
/**
* use ribosum matrices
*/
extern int ribo;
/**
* warning this variable will vanish in the future
* ribosums will be compiled in instead
*/
extern char *RibosumFile;
/**
* \brief contains allowed non standard base pairs
*
* Lists additional base pairs that will be allowed to form in addition to
* GC, CG, AU, UA, GU and UG. Nonstandard base pairs are given a stacking
* energy of 0.
*/
extern char *nonstandards;
/**
* \brief Rescale energy parameters to a temperature in degC.
*
* Default is 37C. You have to call the update_..._params() functions after
* changing this parameter.
*/
extern double temperature;
/**
* interior loops of size 2 get energy 0.8Kcal and
* no mismatches, default 1
*/
extern int james_rule;
/**
* use logarithmic multiloop energy function
*/
extern int logML;
/**
* \brief Marks the position (starting from 1) of the first
* nucleotide of the second molecule within the concatenated sequence.
*
* To evaluate the energy of a duplex structure (a structure formed by two
* strands), concatenate the to sequences and set it to the
* first base of the second strand in the concatenated sequence.
* The default value of -1 stands for single molecule folding. The
* cut_point variable is also used by PS_rna_plot() and
* PS_dot_plot() to mark the chain break in postscript plots.
*/
extern int cut_point;
/**
* \brief Contains a list of base pairs after a call to fold().
*
* base_pair[0].i contains the total number of pairs.
* \deprecated Do not use this variable anymore!
*/
extern bondT *base_pair;
/**
* \brief A pointer to the base pair probability matrix
*
* \deprecated Do not use this variable anymore!
*/
extern FLT_OR_DBL *pr;
/**
* \brief index array to move through pr.
*
* The probability for base i and j to form a pair is in pr[iindx[i]-j].
* \deprecated Do not use this variable anymore!
*/
extern int *iindx;
/**
* \brief A scaling factor used by pf_fold() to avoid overflows.
*
* Should be set to approximately \f$exp{((-F/kT)/length)}\f$, where \f$F\f$ is an estimate
* for the ensemble free energy, for example the minimum free energy. You must
* call update_pf_params() after changing this parameter.\n
* If pf_scale is -1 (the default) , an estimate will be provided
* automatically when computing partition functions, e.g. pf_fold()
* The automatic estimate is usually insufficient for sequences more
* than a few hundred bases long.
*/
extern double pf_scale;
/**
* \brief do backtracking, i.e. compute secondary structures or base pair probabilities
*
* If 0, do not calculate pair probabilities in pf_fold(); this is about
* twice as fast. Default is 1.
*/
extern int do_backtrack;
/**
* \brief A backtrack array marker for inverse_fold()
*
* If set to 'C': force (1,N) to be paired,
* 'M' fold as if the sequence were inside a multi-loop. Otherwise ('F') the
* usual mfe structure is computed.
*/
extern char backtrack_type;
char * option_string(void);
/**
* \brief Set default model details
*
* Use this function if you wish to initialize a #model_detailsT data structure with
* its default values, i.e. the global model settings
*
* \see
*
* \param md A pointer to the data structure that shall be initialized
*/
void set_model_details(model_detailsT *md);
#endif
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