diff --git a/stat_new/stat b/stat_new/stat index 4c4e3f2..af87dba 100755 Binary files a/stat_new/stat and b/stat_new/stat differ diff --git a/stat_new/stat_select.c b/stat_new/stat_select.c index af74ce8..c2e2385 100644 --- a/stat_new/stat_select.c +++ b/stat_new/stat_select.c @@ -18,7 +18,7 @@ float radii (const float *a, const float *b) int create_matrix (int num_mol, int num_atoms, const int *label_mol, const int *type_atoms, const float *coords, int num_of_inter, - const float *crit, int *connect, int *num_bonds) + const float *crit, int *connect) { float x[2][3]; int cur_num_inter, i, j, k, l, num_inter, ***label_inter; @@ -56,11 +56,8 @@ int create_matrix (int num_mol, int num_atoms, const int *label_mol, } for (i=0; i #include -int proc_matrix (int num_mol, const int *connect, const int *num_bond, int *num_mol_agl, int *agl, int *stat) +int proc_matrix (int num_mol, const int *connect, int max_size, int *num_mol_agl, int *agl, int *stat) { - int i, j, p, *bin; + int i, j, k, p, *bin; // definition and zeroing bin = (int *) malloc (num_mol * sizeof (int)); for (i=0; i 0) - { - - } +// filling statistic array + for (i=0; i