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Added lib 'stat_print.c'

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arcan1s
2013-07-16 17:01:00 +04:00
parent 3f30e2b1e8
commit 2809894ad3
6 changed files with 158 additions and 22 deletions
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17
stat_new/stat_select.c
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@ -11,6 +11,9 @@
float radii (const float *a, const float *b)
/* a - [x, y, z] first point
* b - [x, y, z] second point
*/
{
return sqrt (pow((a[0]-b[0]), 2) + pow((a[1]-b[1]), 2) + pow((a[2]-b[2]), 2));
}
@ -19,9 +22,23 @@ 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)
/* num_mol - number of molecules
* num_atoms - number of atoms
* label_mol - massive of numbers of molecule for atoms
* type_atoms - massive of atom types for atoms
* coords - massive of coordinates
* num_of_inter - number of different interactions
* crit - massive of criteria
* connect - connectivity graph for all molecules
*/
{
float x[2][3];
int cur_num_inter, i, j, k, l, num_inter, ***label_inter;
/* x - temporary coordinates
* cur_num_inter - current number of true interactions
* num_inter - needed number of true interactions
* label_inter - temporary massive of true interactions
*/
label_inter = (int ***) malloc (num_mol * sizeof (int **));
for (i=0; i<num_mol; i++)