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arcan1s
2013-07-17 23:25:22 +04:00
parent 709c4564c6
commit 41c6657090
10 changed files with 109169 additions and 60 deletions
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27
stat_new/stat_print.c
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@ -50,26 +50,26 @@ int printing_agl (char *input, char *output, const int *connect, int num_mol,
matrix = (int **) malloc (num_mol_agl[i] * sizeof (int *));
for (j=0; j<num_mol_agl[i]; j++)
{
matrix[i] = (int *) malloc (num_mol_agl[i] * sizeof (int));
matrix[j] = (int *) malloc (num_mol_agl[i] * sizeof (int));
for (k=0; k<num_mol_agl[i]; k++)
matrix[i][j] = 0;
matrix[j][k] = 0;
}
label_matrix = (int *) malloc (num_mol * sizeof (int));
for (j=0; j<num_mol_agl[i]; j++)
label_matrix[agl[num_mol*i+j]] = j;
for (j=0; j<num_mol; j++)
for (k=0; k<num_mol; k++)
if (connect[num_mol*j+k] == 1)
for (j=0; j<num_mol_agl[i]; j++)
for (k=j+1; k<num_mol_agl[i]; k++)
if (connect[num_mol*agl[num_mol*i+j]+agl[num_mol*i+k]] == 1)
{
matrix[label_matrix[j]][label_matrix[k]] = 1;
matrix[label_matrix[k]][label_matrix[j]] = 1;
matrix[label_matrix[agl[num_mol*i+j]]][label_matrix[agl[num_mol*i+k]]] = 1;
matrix[label_matrix[agl[num_mol*i+k]]][label_matrix[agl[num_mol*i+j]]] = 1;
}
// TODO: analyze of topology
iso = 0;
p = 0;
for (j=0; j<num_mol_agl[i]; j++)
for (k=0; k<num_mol_agl[i]; k++)
p += matrix[i][j];
p += matrix[j][k];
if (p == (2*num_mol_agl[i]-2))
{
type = 0;
@ -82,19 +82,14 @@ int printing_agl (char *input, char *output, const int *connect, int num_mol,
}
// printing class of aglomerate
fprintf (f_out, " %7i=%1i=%-7i\n", num_mol_agl[i], type, iso);
fprintf (f_out, "AGL=%i=%i=%i\n", num_mol_agl[i], type, iso);
for (j=0; j<num_mol_agl[i]; j++)
{
fprintf (f_out, "%7i=", true_label_mol[agl[num_mol*i+j]]);
for (k=0; k<num_mol_agl[i]; k++)
{
if (matrix[j][k] == 1)
{
if (k == 0)
fprintf (f_out, "%7i", true_label_mol[agl[num_mol*i+k]]);
else
fprintf (f_out, ",%7i", true_label_mol[agl[num_mol*i+k]]);
}
fprintf (f_out, "%i,", true_label_mol[agl[num_mol*i+k]]);
}
fprintf (f_out, "\n");
}
@ -106,7 +101,7 @@ int printing_agl (char *input, char *output, const int *connect, int num_mol,
free (label_matrix);
}
fclose (f_out);
fprintf (f_out, "---------------------------------------------------\n");
fclose (f_out);
return 0;
}