voronoi_lst.c File Reference

#include "../headers/voronoi_lst.h"

Go to the source code of this file.

Functions
c_lst_vertices *	c_lst_vertices_alloc (void)
node_vertice *	node_vertice_alloc (s_vvertice *vertice)
node_vertice *	c_lst_vertices_add_first (c_lst_vertices *lst, s_vvertice *vertice)
node_vertice *	c_lst_vertices_add_last (c_lst_vertices *lst, s_vvertice *vertice)
void	c_lst_vertices_free (c_lst_vertices *lst)
s_atm **	get_vert_contacted_atms (c_lst_vertices *v_lst, int *nneigh)

---

Function Documentation

node_vertice* c_lst_vertices_add_first	(	c_lst_vertices *	lst,
		s_vvertice *	vertice
	)

## FONCTION: c_vertice_lst_add_first

## SPECIFICATION: Add a vertice at the first position of the list.

## PARAMETRES: @ c_lst_vertices *lst : chained list of vertices @ s_vvertice *vertice : vertice to add

## RETURN: node_vertice *: pointer toi the new node.

Definition at line 123 of file voronoi_lst.c.

References c_lst_vertices::first, c_lst_vertices::n_vertices, node_vertice::next, node_vertice_alloc(), and node_vertice::prev.

{
        node_vertice *newn = NULL ;

        if(lst) {
                newn = node_vertice_alloc(vertice) ;
                lst->first->prev = newn ;
                newn->next = lst->first ;

                lst->first = newn ;
                lst->n_vertices += 1 ;
        }
        
        return newn ;
}

node_vertice* c_lst_vertices_add_last	(	c_lst_vertices *	lst,
		s_vvertice *	vertice
	)

## FONCTION: c_vertice_lst_add_last

## SPECIFICATION: Add a vertice at the end of the chained list

## PARAMETRES: @ c_lst_pocket *lst : chained list of pockets @ s_vvertice *vertice : vertice to add

## RETURN: node_vertice *: Pointer to the new node

Definition at line 154 of file voronoi_lst.c.

References c_lst_vertices::first, c_lst_vertices::last, c_lst_vertices::n_vertices, node_vertice::next, node_vertice_alloc(), and node_vertice::prev.

Referenced by extract_wanted_vertices(), and updateIds().

{
        struct node_vertice *newn = NULL ;

        if(lst) {
                newn = node_vertice_alloc(vertice) ;
                if(lst->last) {
                        newn->prev = lst->last ;
                        lst->last->next = newn ;
                }
                else {
                        lst->first = newn ;

                }
                lst->last = newn ;
                lst->n_vertices += 1 ;
        }

        return newn ;
}

c_lst_vertices* c_lst_vertices_alloc

(

void

)

## FONCTION: lst_vertices_alloc

## SPECIFICATION: Allocate a list of vertices

## PARAMETRES:

## RETURN: c_lst_vertices*

Definition at line 71 of file voronoi_lst.c.

References c_lst_vertices::current, c_lst_vertices::first, c_lst_vertices::last, my_malloc(), and c_lst_vertices::n_vertices.

Referenced by extract_wanted_vertices(), and updateIds().

{
        c_lst_vertices *lst = (c_lst_vertices *)my_malloc(sizeof(c_lst_vertices)) ;

        lst->first = NULL ;
        lst->last = NULL ;
        lst->current = NULL ;
        lst->n_vertices = 0 ;

        return lst ;
}

void c_lst_vertices_free

(

c_lst_vertices *

lst

)

## FONCTION: lst_vertice_free

## SPECIFICATION: Free memory of a chained list

## PARAMETRES: @ c_lst_vertices *lst: list of voronoi vertices

## RETURN:

Definition at line 188 of file voronoi_lst.c.

References c_lst_vertices::current, c_lst_vertices::first, c_lst_vertices::last, my_free(), and node_vertice::next.

Referenced by dropPocket().

{
        //fprintf(stdout, "Freeing list of vertices\n") ;
        node_vertice *next = NULL ;
        
        if(lst) {
                lst->current = lst->first ;
                while(lst->current) {
                        next = lst->current->next ;
                        my_free(lst->current) ;
                        lst->current = next ;
        }
        }

        lst->first = NULL ;
        lst->last = NULL ;
        lst->current = NULL ;

        my_free(lst) ;
}

s_atm** get_vert_contacted_atms	(	c_lst_vertices *	v_lst,
		int *	nneigh
	)

## FUNCTION: get_vert_contacted_atms

## SPECIFICATION: Get the list of atoms contacted by each vertice in the given list of vertices.

## PARAMETRES: @ c_lst_vertices *v_lst : The list of vertices of the pocket. @ int *nneigh : OUTPUT A pointer to the number of neighbour found, will be modified

## RETURN: A tab of pointers to the pocket contacting atoms.

Definition at line 225 of file voronoi_lst.c.

References c_lst_vertices::first, s_atm::id, in_tab(), my_malloc(), c_lst_vertices::n_vertices, s_vvertice::neigh, node_vertice::next, and node_vertice::vertice.

Referenced by desc_pocket().

{
        int i ;
        int nb_neigh = 0 ;
        int atm_seen[v_lst->n_vertices * 4] ;

        s_atm **neigh = (s_atm **)my_malloc(sizeof(s_atm*)*v_lst->n_vertices * 4) ;
        
        node_vertice *cur = v_lst->first ;

        while(cur) {
                s_vvertice *vcur = cur->vertice ;
                
                for(i = 0 ; i < 4 ; i++) {
                /* For each neighbor, if this atom has not been see yet, add it. */
                        if(!in_tab(atm_seen, nb_neigh, vcur->neigh[i]->id)) {
                                neigh[nb_neigh] = vcur->neigh[i] ;
                                atm_seen[nb_neigh] = neigh[nb_neigh]->id ;
                                nb_neigh++ ;
                        }
                }

                cur = cur->next ;
        }

        *nneigh = nb_neigh ;

        return neigh ;
}

node_vertice* node_vertice_alloc

(

s_vvertice *

vertice

)

## FONCTION: node_vertice_alloc

## SPECIFICATION: Allocate memory for one vertice node.

## PARAMETRES: @ s_vvertice *vertice : pointer to the vertice to store in the node

## RETURN: node_vertice*: Allocated node

Definition at line 97 of file voronoi_lst.c.

References my_malloc(), node_vertice::next, node_vertice::prev, and node_vertice::vertice.

Referenced by c_lst_vertices_add_first(), and c_lst_vertices_add_last().

{
        node_vertice *n_vertice = (node_vertice *) my_malloc(sizeof(node_vertice)) ;

        n_vertice->next = NULL ;
        n_vertice->prev = NULL ;
        n_vertice->vertice = vertice ;
        
        return n_vertice ;
}