move_set.h
#ifndef __MOVE_SET_H
#define __MOVE_SET_H
typedef struct _struct_en{
int energy; /* energy in 10kcal/mol*/
short *structure; /* structure in energy_of_move format*/
} struct_en;
/* prints structure*/
void print_stren(FILE *out, struct_en *str);
void print_str(FILE *out, short *str);
/* copying functions*/
void copy_arr(short *dest, short *src); /*just copy*/
short *allocopy(short *src); /*copy and make space*/
enum MOVE_TYPE {GRADIENT, FIRST, ADAPTIVE};
/* walking methods (verbose_lvl 0-2, shifts = use shift moves? noLP = no lone pairs? (not compatible with shifts))
input: seq - sequence
ptable - structure encoded with make_pair_table() from pair_mat.h
s, s1 - sequence encoded with encode_sequence from pair_mat.h
methods: deepest - lowest energy structure is used
first - first found lower energy structure is used
rand - random lower energy structure is used
returns local minima structure in ptable and its energy in 10kcal/mol as output */
int move_gradient( char *seq,
short *ptable,
short *s,
short *s1,
int verbosity_level,
int shifts,
int noLP);
int move_first( char *seq,
short *ptable,
short *s,
short *s1,
int verbosity_level,
int shifts,
int noLP);
int move_adaptive( char *seq,
short *ptable,
short *s,
short *s1,
int verbosity_level);
/* standardized method that encapsulates above "_pt" methods
input: seq - sequence
struc - structure in dot-bracket notation
type - type of move selection according to MOVE_TYPE enum
return: energy of LM
structure of LM in struc in bracket-dot notation
*/
int move_standard(char *seq,
char *struc,
enum MOVE_TYPE type,
int verbosity_level,
int shifts,
int noLP);
/* browse_neighbours and perform funct function on each of them (used mainly for user specified flooding)
input: seq - sequence
ptable - structure encoded with make_pair_table() from pair_mat.h
s, s1 - sequence encoded with encode_sequence from pair_mat.h
funct - function (structure from neighbourhood, structure from input) toperform on every structure in neigbourhood (if the function returns non-zero, the iteration through neighbourhood stops.)
returns energy of the structure funct sets as second argument*/
int browse_neighs_pt( char *seq,
short *ptable,
short *s,
short *s1,
int verbosity_level,
int shifts,
int noLP,
int (*funct) (struct_en*, struct_en*));
int browse_neighs( char *seq,
char *struc,
int verbosity_level,
int shifts,
int noLP,
int (*funct) (struct_en*, struct_en*));
#endif
_struct_en
Data structure for energy_of_move()
Definition: move_set.h:7