psorting.c File Reference

#include "../headers/psorting.h"

Go to the source code of this file.

Functions
static void	pock_qsort_rec (c_lst_pockets *pockets, node_pocket **pocks, int start, int end, int(*fcmp)(const node_pocket *, const node_pocket *))
static int	pock_partition (c_lst_pockets *pockets, node_pocket **pocks, int start, int end, int(*fcmp)(const node_pocket *, const node_pocket *))
void	sort_pockets (c_lst_pockets *pockets, int(*fcmp)(const node_pocket *, const node_pocket *))
int	compare_pockets_nasph (const node_pocket *p1, const node_pocket *p2)
int	compare_pockets_volume (const node_pocket *p1, const node_pocket *p2)
int	compare_pockets_score (const node_pocket *p1, const node_pocket *p2)
int	compare_pockets_corresp (const node_pocket *p1, const node_pocket *p2)
int	compare_pockets_vol_corresp (const node_pocket *p1, const node_pocket *p2)

---

Function Documentation

int compare_pockets_corresp	(	const node_pocket *	p1,
		const node_pocket *	p2
	)

## FUNCTION: compare_pockets_corresp

## SPECIFICATION: Function comparing two pocket on there correspondance with the ligan (for the test programm). Uses this for quicksort, orwhatever you want...

## PARAMETRES: @ const node_pocket *p1: Pocket 1 @ const node_pocket *p2: Pocket 2

## RETURN: 1 if the correspondance of p2 is greater than the correspondance of p1, -1 else.

Definition at line 273 of file psorting.c.

References s_pocket::ovlp, and node_pocket::pocket.

{
        if(p1->pocket->ovlp < p2->pocket->ovlp) return 1 ;
        else return -1 ;
}

int compare_pockets_nasph	(	const node_pocket *	p1,
		const node_pocket *	p2
	)

## FUNCTION: compare_pockets_nasph

## SPECIFICATION: Function comparing two pocket on there number of alpha spheres. Uses this for quicksort, or whatever you want...

## PARAMETRES: @ const node_pocket *p1: Pocket 1 @ const node_pocket *p2: Pocket 2

## RETURN:.

Definition at line 206 of file psorting.c.

References s_desc::nb_asph, s_pocket::pdesc, and node_pocket::pocket.

{
        if(p1->pocket->pdesc->nb_asph < p2->pocket->pdesc->nb_asph) return 1 ;
        else return -1 ;
}

int compare_pockets_score	(	const node_pocket *	p1,
		const node_pocket *	p2
	)

## FUNCTION: compare_pockets_score

## SPECIFICATION: Function comparing two pocket on there score. Uses this for quicksort, or whatever you want...

## PARAMETRES: @ const node_pocket *p1: Pocket 1 @ const node_pocket *p2: Pocket 2

## RETURN: 1 if the score of p2 is greater than the score of p1, -1 else.

Definition at line 251 of file psorting.c.

References node_pocket::pocket, and s_pocket::score.

{
        if(p1->pocket->score < p2->pocket->score) return 1 ;
        else return -1 ;
}

int compare_pockets_vol_corresp	(	const node_pocket *	p1,
		const node_pocket *	p2
	)

## FUNCTION: compare_pockets_vol_corresp

## SPECIFICATION: Function comparing two pocket on there volume correspondance with the ligan (for the test programm). Uses this for quicksort, orwhatever you want...

## PARAMETRES: @ const node_pocket *p1: Pocket 1 @ const node_pocket *p2: Pocket 2

## RETURN: 1 if the volume correspondance of p2 is greater than the volume correspondance of p1, -1 else.

Definition at line 296 of file psorting.c.

References node_pocket::pocket, and s_pocket::vol_corresp.

{
        if(p1->pocket->vol_corresp < p2->pocket->vol_corresp) return 1 ;
        else return -1 ;
}

int compare_pockets_volume	(	const node_pocket *	p1,
		const node_pocket *	p2
	)

## FUNCTION: compare_pockets_volume

## SPECIFICATION: Function comparing two pocket on there volume. Uses this for quicksort, or whatever you want...

## PARAMETRES: @ const node_pocket *p1: Pocket 1 @ const node_pocket *p2: Pocket 2

## RETURN: 1 if the volume of p2 is greater than the volume of p1, -1 else.

Definition at line 229 of file psorting.c.

References s_pocket::pdesc, node_pocket::pocket, and s_desc::volume.

{
        if(p1->pocket->pdesc->volume < p2->pocket->pdesc->volume) return 1 ;
        else return -1 ;
}

static int pock_partition	(	c_lst_pockets *	pockets,
		node_pocket **	pocks,
		int	start,
		int	end,
		int(*)(const node_pocket *, const node_pocket *)	fcmp
	)			[static]

## FUNCTION: static pock_partition

## SPECIFICATION: Partition fuction used for the quicksort. The comparison between two pockets is done with the function given in last argument. The pivot is chosen as the first element of the tab. A possible amelioration is to chose it randomly, to avoid low performance on already sorted tab...

The function is sorting a tab of pointer to the pockets, and will update the corresponding chained list.

## PARAMETRES: @ c_lst_pockets *pockets : The list of pockets that will be updated @ node_pocket **pocks : Tab that will be sorted @ int start : start index of the sort @ int end : end index of the sort @ int (*fcmp)(const node_pocket*, const node_pocket*): Comparison function

## RETURN:

Definition at line 158 of file psorting.c.

References swap_pockets().

Referenced by pock_qsort_rec().

{
        node_pocket *cpock = NULL,
                                *tmp = NULL,
                                *piv = NULL ;
        
        int c = start,
                i = 0 ;
                
        piv = pocks[start] ;     // TODO: chose randomly the pivot.
        for(i = start+1 ; i <= end ; i++) {
                cpock = pocks[i] ;
                if( fcmp(cpock, piv) == -1) {
                        c++ ;
                        if(c != i) {
                                swap_pockets(pockets, pocks[c], pocks[i]) ;
                                tmp = pocks[c] ;
                                pocks[c] = pocks[i] ; pocks[i] = tmp ;
                        }
                }
        }
        
        if(c != start) {
                swap_pockets(pockets, pocks[c], piv) ;
                tmp = pocks[c] ;
                pocks[c] = pocks[start] ; pocks[start] = tmp ;
        
        }

        return(c) ;
}

static void pock_qsort_rec	(	c_lst_pockets *	pockets,
		node_pocket **	pocks,
		int	start,
		int	end,
		int(*)(const node_pocket *, const node_pocket *)	fcmp
	)			[static]

## FUNCTION: static pock_qsort_rec

## SPECIFICATION: This function will perform a recursive quick sort on the given tab, updating the corresponding chained list.

## PARAMETRES: @ c_lst_pockets *pockets : The list of pockets that will be updated @ node_pocket **pocks : Tab that will be sorted @ int start : start index of the sort @ int end : end index of the sort @ int (*fcmp)(const node_pocket*, const node_pocket*): Comparison function

## RETURN:

Definition at line 122 of file psorting.c.

References pock_partition().

Referenced by sort_pockets().

{
        if(start < end) {
                int piv = 0 ;
                piv = pock_partition(pockets, pocks, start, end, fcmp) ;
                
                pock_qsort_rec(pockets, pocks, start, piv-1, fcmp) ;
                pock_qsort_rec(pockets, pocks, piv+1, end, fcmp) ;
        }
}

void sort_pockets	(	c_lst_pockets *	pockets,
		int(*)(const node_pocket *, const node_pocket *)	fcmp
	)

## FUNCTION: sort_pockets

## SPECIFICATION: Top function used to sort pockets. First we copy the chained list of pockets in a tab to make use of indices (for the quick sort algorithm), and then we will sort this tab, and update in the same time the chained list.

Finally, the given chained list will be modified and sorted using the function given in argument.

## PARAMETRES: @ c_lst_pockets *pockets: The list of pockets that will be updated @ int (*fcmp)(const node_pocket*, const node_pocket*): Comparison function

## RETURN:

Definition at line 87 of file psorting.c.

References c_lst_pockets::first, my_calloc(), my_free(), c_lst_pockets::n_pockets, node_pocket::next, and pock_qsort_rec().

Referenced by search_pocket().

{
        size_t npock = 0 ;
        node_pocket **pocks = (node_pocket **)my_calloc(pockets->n_pockets, sizeof(node_pocket*)) ;
        node_pocket *cur = pockets->first ;

        while(cur && npock < pockets->n_pockets) {
                pocks[npock] = cur ;
                cur = cur->next ;
                npock++ ;
        }
        pock_qsort_rec(pockets, pocks, 0,  npock-1, fcmp) ;

        my_free(pocks) ;
}