From 7af8a487c13b3df6a2d4b42838a984b2712dc4dd Mon Sep 17 00:00:00 2001
From: arcan1s <esalexeev@gmail.com>
Date: Mon, 22 Jul 2013 19:20:19 +0400
Subject: [PATCH] Prerelease statgen 1.0.1

---
 stat/STAT_GEN.c                    | 1165 ----------------------------
 stat/input_stat.dat                |    9 -
 statgen/include/statgen/add_main.h |    1 +
 statgen/src/CMakeLists.txt         |   26 +-
 statgen/src/add_main.c             |   17 +-
 statgen/src/graph.c                |    5 +-
 statgen/src/main.c                 |  143 +---
 statgen/src/messages.c             |   18 +-
 statgen/src/stat_print.c           |   16 +-
 statgen/statgen.cmake              |    9 +-
 10 files changed, 92 insertions(+), 1317 deletions(-)
 delete mode 100755 stat/STAT_GEN.c
 delete mode 100755 stat/input_stat.dat

diff --git a/stat/STAT_GEN.c b/stat/STAT_GEN.c
deleted file mode 100755
index 5c78ae9..0000000
--- a/stat/STAT_GEN.c
+++ /dev/null
@@ -1,1165 +0,0 @@
-#include <stdio.h>
-#include <stdlib.h>
-#include <conio.h>
-#include <ctype.h> 
-#include <math.h>
-#include <string.h>
-
-
-
-int type_int, mol_atom_arr[2], num_agl_atom, step, mol[1000], label[8000], agl_all[350], all_bond_stat[500];
-int num_mol, num_mol_ext, label_mol[8000][6][2], bond_array[1000][1000], cycle, linear;
-double cell_param[3], bond_param[2], a[480000][3][2];
-char name[128];
-
-
-
-char conv(int fnumb, int dig_pos)
-{
-	int s, d, e;
-	char digit[10];
-
-
-	digit[0] = '0';
-	digit[1] = '1';
-	digit[2] = '2';
-	digit[3] = '3';
-	digit[4] = '4';
-	digit[5] = '5';
-	digit[6] = '6';
-	digit[7] = '7';
-	digit[8] = '8';
-	digit[9] = '9';
-
-	if (fnumb >= 100) 
-		s = (fnumb - fmod(fnumb, 100)) / 100;
-	else 
-		s = 0;
-	if (fnumb - s*100 >= 10) 
-		d = (fnumb - s*100 - fmod(fnumb - s*100, 10))/10;
-	else 
-		d = 0;
-	e = fnumb - s*100 - d*10;
-
-	if (dig_pos == 1) return digit[e];
-	if (dig_pos == 2) return digit[d];
-	if (dig_pos == 3) return digit[s];
-	else return digit[0];
-}
-
-
-
-void input_data(FILE *fs)
-{
-	char q[64];
-	int i, j, k, l, m, n, inp[2], o;
-	int atoms, number, atom_t, molecule, numb[2];
-	double x, y, z; 
-
-
-	l = 0;
-	numb[0] = 0;
-	numb[1] = 0;
-	for (i=0; i<8000; i++)
-		for (j=0; j<6; j++)
-			for (k=0; k<type_int; k++)
-				label_mol[i][j][k] = 10000;
-
-
-	fscanf (fs, "%i", &atoms);
-	for (i=0; i<atoms; i++)
-	{
-		fscanf (fs, "%i", &number);
-		for (j=0; j<4; j++) 
-			fscanf (fs, "%c", &q[j]);
-		fscanf (fs, "%lf", &x);
-		fscanf (fs, "%lf", &y);
-		fscanf (fs, "%lf", &z);
-		fscanf (fs, "%i", &atom_t);
-		fscanf (fs, "%i", &molecule);
-		fgets (q, 64, fs);
-
-		for (j=0; j<type_int; j++)
-			if (atom_t == mol_atom_arr[j])
-			{
-				a[numb[j]][0][j] = x;
-				a[numb[j]][1][j] = y;
-				a[numb[j]][2][j] = z;	
-				if ((molecule != mol[l]) && (label_mol[0][0][j] != 10000))
-					l++;
-				mol[l] = molecule;
-				label[l] = l;
-				k = 0;
-				while (label_mol[l][k][j] != 10000)
-					k++;
-				label_mol[l][k][j] = numb[j];
-				numb[j]++;
-			}
-	}
-	
-
-	num_mol = l + 1;
-	num_mol_ext = num_mol;
-	inp[0] = numb[0];
-	inp[1] = numb[1];
-
-	for (i=0; i<num_mol; i++)
-	{
-		for (j=0; j<3; j++)
-		{
-			if (a[label_mol[i][0][0]][j][0] > 0)
-			{
-				for (k=0; k<type_int; k++)
-				{
-					l = 0;
-					while (label_mol[i][l][k] != 10000)
-					{
-						for (m=0; m<3; m++)
-							if (m == j)
-								a[inp[k]][m][k] = a[label_mol[i][l][k]][m][k] - cell_param[m];
-							else
-								a[inp[k]][m][k] = a[label_mol[i][l][k]][m][k];
-
-						o = 0;
-						while (label_mol[num_mol_ext][o][k] != 10000)
-							o++;
-						label_mol[num_mol_ext][o][k] = inp[k];
-						inp[k]++;
-
-						l++;
-					}
-				}
-				label[num_mol_ext] = label[i];
-				num_mol_ext++;
-			}
-
-			if (a[label_mol[i][0][0]][j][0] < 0)
-			{
-				for (k=0; k<type_int; k++)
-				{
-					l = 0;
-					while (label_mol[i][l][k] != 10000)
-					{
-						for (m=0; m<3; m++)
-							if (m == j)
-								a[inp[k]][m][k] = a[label_mol[i][l][k]][m][k] + cell_param[m];
-							else
-								a[inp[k]][m][k] = a[label_mol[i][l][k]][m][k];
-
-						o = 0;
-						while (label_mol[num_mol_ext][o][k] != 10000)
-							o++;
-						label_mol[num_mol_ext][o][k] = inp[k];
-						inp[k]++;
-
-						l++;
-					}
-				}
-				label[num_mol_ext] = label[i];
-				num_mol_ext++;
-			}
-		}
-
-
-		for (j=0; j<3; j++)
-		{
-			for (k=j+1; k<3; k++)
-			{
-				if ((a[label_mol[i][0][0]][j][0] > 0) && (a[label_mol[i][0][0]][k][0] > 0))
-				{
-					for (l=0; l<type_int; l++)
-					{
-						m = 0;
-						while (label_mol[i][m][l] != 10000)
-						{
-							for (n=0; n<3; n++)
-							{
-								if (n == j)
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l] - cell_param[n];
-								if (n == k)
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l] - cell_param[n];
-								if ((n != j) && (n != k))
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l];
-							}
-							o = 0;
-							while (label_mol[num_mol_ext][o][l] != 10000)
-								o++;
-							label_mol[num_mol_ext][o][l] = inp[l];
-							inp[l]++;
-
-							m++;
-						}
-					}
-					label[num_mol_ext] = label[i];
-					num_mol_ext++;
-				}
-
-				if ((a[label_mol[i][0][0]][j][0] < 0) && (a[label_mol[i][0][0]][k][0] < 0))
-				{
-					for (l=0; l<type_int; l++)
-					{
-						m = 0;
-						while (label_mol[i][m][l] != 10000)
-						{
-							for (n=0; n<3; n++)
-							{
-								if (n == j)
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l] + cell_param[n];
-								if (n == k)
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l] + cell_param[n];
-								if ((n != j) && (n != k))
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l];
-							}
-							o = 0;
-							while (label_mol[num_mol_ext][o][l] != 10000)
-								o++;
-							label_mol[num_mol_ext][o][l] = inp[l];
-							inp[l]++;
-
-							m++;
-						}
-					}
-					label[num_mol_ext] = label[i];
-					num_mol_ext++;
-				}
-			}
-
-			for (k=0; k<3; k++)
-				if ((a[label_mol[i][0][0]][j][0] < 0) && (a[label_mol[i][0][0]][k][0] > 0))
-				{
-					for (l=0; l<type_int; l++)
-					{
-						m = 0;
-						while (label_mol[i][m][l] != 10000)
-						{
-							for (n=0; n<3; n++)
-							{
-								if (n == j)
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l] + cell_param[n];
-								if (n == k)
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l] - cell_param[n];
-								if ((n != j) && (n != k))
-									a[inp[l]][n][l] = a[label_mol[i][m][l]][n][l];
-							}
-							o = 0;
-							while (label_mol[num_mol_ext][o][l] != 10000)
-								o++;
-							label_mol[num_mol_ext][o][l] = inp[l];
-							inp[l]++;
-
-							m++;
-						}
-					}
-					label[num_mol_ext] = label[i];
-					num_mol_ext++;
-				}
-
-		}
-
-
-		if ((a[label_mol[i][0][0]][0][0] > 0) && (a[label_mol[i][0][0]][1][0] > 0) && (a[label_mol[i][0][0]][2][0] > 0))
-		{
-			for (j=0; j<type_int; j++)
-			{
-				k = 0;
-				while (label_mol[i][k][j] != 10000)
-				{
-					a[inp[j]][0][j] = a[label_mol[i][k][j]][0][j] - cell_param[0];
-					a[inp[j]][1][j] = a[label_mol[i][k][j]][1][j] - cell_param[1];
-					a[inp[j]][2][j] = a[label_mol[i][k][j]][2][j] - cell_param[2];
-
-					o = 0;
-					while (label_mol[num_mol_ext][o][j] != 10000)
-						o++;
-					label_mol[num_mol_ext][o][j] = inp[j];
-					inp[j]++;
-
-					k++;
-				}
-			}
-			label[num_mol_ext] = label[i];
-			num_mol_ext++;
-		}
-
-		if ((a[label_mol[i][0][0]][0][0] > 0) && (a[label_mol[i][0][0]][1][0] > 0) && (a[label_mol[i][0][0]][2][0] < 0))
-		{
-			for (j=0; j<type_int; j++)
-			{
-				k = 0;
-				while (label_mol[i][k][j] != 10000)
-				{
-					a[inp[j]][0][j] = a[label_mol[i][k][j]][0][j] - cell_param[0];
-					a[inp[j]][1][j] = a[label_mol[i][k][j]][1][j] - cell_param[1];
-					a[inp[j]][2][j] = a[label_mol[i][k][j]][2][j] + cell_param[2];
-
-					o = 0;
-					while (label_mol[num_mol_ext][o][j] != 10000)
-						o++;
-					label_mol[num_mol_ext][o][j] = inp[j];
-					inp[j]++;
-
-					k++;
-				}
-			}
-			label[num_mol_ext] = label[i];
-			num_mol_ext++;
-		}
-
-		if ((a[label_mol[i][0][0]][0][0] > 0) && (a[label_mol[i][0][0]][1][0] < 0) && (a[label_mol[i][0][0]][2][0] > 0))
-		{
-			for (j=0; j<type_int; j++)
-			{
-				k = 0;
-				while (label_mol[i][k][j] != 10000)
-				{
-					a[inp[j]][0][j] = a[label_mol[i][k][j]][0][j] - cell_param[0];
-					a[inp[j]][1][j] = a[label_mol[i][k][j]][1][j] + cell_param[1];
-					a[inp[j]][2][j] = a[label_mol[i][k][j]][2][j] - cell_param[2];
-
-					o = 0;
-					while (label_mol[num_mol_ext][o][j] != 10000)
-						o++;
-					label_mol[num_mol_ext][o][j] = inp[j];
-					inp[j]++;
-
-					k++;
-				}
-			}
-			label[num_mol_ext] = label[i];
-			num_mol_ext++;
-		}
-
-		if ((a[label_mol[i][0][0]][0][0] < 0) && (a[label_mol[i][0][0]][1][0] > 0) && (a[label_mol[i][0][0]][2][0] > 0))
-		{
-			for (j=0; j<type_int; j++)
-			{
-				k = 0;
-				while (label_mol[i][k][j] != 10000)
-				{
-					a[inp[j]][0][j] = a[label_mol[i][k][j]][0][j] + cell_param[0];
-					a[inp[j]][1][j] = a[label_mol[i][k][j]][1][j] - cell_param[1];
-					a[inp[j]][2][j] = a[label_mol[i][k][j]][2][j] - cell_param[2];
-
-					o = 0;
-					while (label_mol[num_mol_ext][o][j] != 10000)
-						o++;
-					label_mol[num_mol_ext][o][j] = inp[j];
-					inp[j]++;
-
-					k++;
-				}
-			}
-			label[num_mol_ext] = label[i];
-			num_mol_ext++;
-		}
-
-		if ((a[label_mol[i][0][0]][0][0] < 0) && (a[label_mol[i][0][0]][1][0] < 0) && (a[label_mol[i][0][0]][2][0] > 0))
-		{
-			for (j=0; j<type_int; j++)
-			{
-				k = 0;
-				while (label_mol[i][k][j] != 10000)
-				{
-					a[inp[j]][0][j] = a[label_mol[i][k][j]][0][j] + cell_param[0];
-					a[inp[j]][1][j] = a[label_mol[i][k][j]][1][j] + cell_param[1];
-					a[inp[j]][2][j] = a[label_mol[i][k][j]][2][j] - cell_param[2];
-
-					o = 0;
-					while (label_mol[num_mol_ext][o][j] != 10000)
-						o++;
-					label_mol[num_mol_ext][o][j] = inp[j];
-					inp[j]++;
-
-					k++;
-				}
-			}
-			label[num_mol_ext] = label[i];
-			num_mol_ext++;
-		}
-
-		if ((a[label_mol[i][0][0]][0][0] < 0) && (a[label_mol[i][0][0]][1][0] > 0) && (a[label_mol[i][0][0]][2][0] < 0))
-		{
-			for (j=0; j<type_int; j++)
-			{
-				k = 0;
-				while (label_mol[i][k][j] != 10000)
-				{
-					a[inp[j]][0][j] = a[label_mol[i][k][j]][0][j] + cell_param[0];
-					a[inp[j]][1][j] = a[label_mol[i][k][j]][1][j] - cell_param[1];
-					a[inp[j]][2][j] = a[label_mol[i][k][j]][2][j] + cell_param[2];
-
-					o = 0;
-					while (label_mol[num_mol_ext][o][j] != 10000)
-						o++;
-					label_mol[num_mol_ext][o][j] = inp[j];
-					inp[j]++;
-
-					k++;
-				}
-			}
-			label[num_mol_ext] = label[i];
-			num_mol_ext++;
-		}
-
-		if ((a[label_mol[i][0][0]][0][0] > 0) && (a[label_mol[i][0][0]][1][0] < 0) && (a[label_mol[i][0][0]][2][0] < 0))
-		{
-			for (j=0; j<type_int; j++)
-			{
-				k = 0;
-				while (label_mol[i][k][j] != 10000)
-				{
-					a[inp[j]][0][j] = a[label_mol[i][k][j]][0][j] - cell_param[0];
-					a[inp[j]][1][j] = a[label_mol[i][k][j]][1][j] + cell_param[1];
-					a[inp[j]][2][j] = a[label_mol[i][k][j]][2][j] + cell_param[2];
-
-					o = 0;
-					while (label_mol[num_mol_ext][o][j] != 10000)
-						o++;
-					label_mol[num_mol_ext][o][j] = inp[j];
-					inp[j]++;
-
-					k++;
-				}
-			}
-			label[num_mol_ext] = label[i];
-			num_mol_ext++;
-		}
-
-		if ((a[label_mol[i][0][0]][0][0] < 0) && (a[label_mol[i][0][0]][1][0] < 0) && (a[label_mol[i][0][0]][2][0] < 0))
-		{
-			for (j=0; j<type_int; j++)
-			{
-				k = 0;
-				while (label_mol[i][k][j] != 10000)
-				{
-					a[inp[j]][0][j] = a[label_mol[i][k][j]][0][j] + cell_param[0];
-					a[inp[j]][1][j] = a[label_mol[i][k][j]][1][j] + cell_param[1];
-					a[inp[j]][2][j] = a[label_mol[i][k][j]][2][j] + cell_param[2];
-
-					o = 0;
-					while (label_mol[num_mol_ext][o][j] != 10000)
-						o++;
-					label_mol[num_mol_ext][o][j] = inp[j];
-					inp[j]++;
-
-					k++;
-				}
-			}
-			label[num_mol_ext] = label[i];
-			num_mol_ext++;
-		}
-	}
-}
-
-
-
-void stat(FILE *fo, int chs)
-{
-	int i, j, h, k, l, p, x, y;
-	int num_bond[1000], bond[1000][20], bin[1000], label_bond[650][350], agl[350], label_num[650];
-	double leng, min, min00;
-	char q[3];
-
-
-	for (i=0; i<650; i++)
-	{
-		for (j=0; j<350; j++)
-			label_bond[i][j] = 0;
-		label_num[i] = 0;
-	}
-	for (i=0; i<350; i++)						
-		agl[i] = 0;
-	for (i=0; i<1000; i++)
-	{
-		for (j=0; j<20; j++)
-			bond[i][j] = 0;
-		num_bond[i] = 0;
-	}
-
-
-	fprintf (fo, "\nFILE:     %s\n", name);
-	switch (type_int)
-	{
-	case 1:
-		for (i=0; i<num_mol_ext; i++)
-			for (j=i+1; j<num_mol_ext; j++)
-			{
-				min = sqrt ((a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][0]][0][0])*(a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][0]][0][0]) + (a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][0]][1][0])*(a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][0]][1][0]) + (a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][0]][2][0])*(a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][0]][2][0]));
-				h = 0;
-				while (label_mol[i][h][0] != 10000)
-				{
-					k = 0;
-					while (label_mol[j][k][0] != 10000)
-					{
-						leng = sqrt ((a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][0]][0][0])*(a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][0]][0][0]) + (a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][0]][1][0])*(a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][0]][1][0]) + (a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][0]][2][0])*(a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][0]][2][0]));
-						if (leng < min)
-							min = leng;
-						k++;
-					}
-					h++;
-				}
-
-				if (min < bond_param[0])
-				{
-					k = 1;
-					for (l=0; l<num_bond[label[i]]; l++)
-						if (bond[label[i]][l] == label[j])
-							k = 0;
-
-					if (k == 1)
-					{
-						bond[label[i]][num_bond[label[i]]] = label[j];
-						num_bond[label[i]]++;
-						bond[label[j]][num_bond[label[j]]] = label[i];
-						num_bond[label[j]]++;
-
-						if (chs > 0)
-						{
-							bond_array[label[i]][label[j]] = (100*min - fmod(100*min, 1));
-							bond_array[label[j]][label[i]] = (100*min - fmod(100*min, 1));
-						}
-					}
-				}
-			}
-	break;
-	
-	case 2:
-		for (i=0; i<num_mol_ext; i++)
-			for (j=i+1; j<num_mol_ext; j++)
-			{
-				min = sqrt ((a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][0]][0][0])*(a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][0]][0][0]) + (a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][0]][1][0])*(a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][0]][1][0]) + (a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][0]][2][0])*(a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][0]][2][0]));
-				h = 0;
-				while (label_mol[i][h][0] != 10000)
-				{
-					k = 0;
-					while (label_mol[j][k][0] != 10000)
-					{
-						leng = sqrt ((a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][0]][0][0])*(a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][0]][0][0]) + (a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][0]][1][0])*(a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][0]][1][0]) + (a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][0]][2][0])*(a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][0]][2][0]));
-						if (leng < min)
-							min = leng;
-						k++;
-					}
-					h++;
-				}
-
-				if (min < bond_param[0])
-				{
-					min00 = min;
-					min = sqrt ((a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][1]][0][1])*(a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][1]][0][1]) + (a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][1]][1][1])*(a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][1]][1][1]) + (a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][1]][2][1])*(a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][1]][2][1]));
-					h = 0;
-					while (label_mol[i][h][0] != 10000)
-					{
-						k = 0;
-						while (label_mol[j][k][1] != 10000)
-						{
-							leng = sqrt ((a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][1]][0][1])*(a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][1]][0][1]) + (a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][1]][1][1])*(a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][1]][1][1]) + (a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][1]][2][1])*(a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][1]][2][1]));
-							if (leng < min)
-								min = leng;
-							k++;
-						}
-						h++;
-					}
-
-					if (min < bond_param[1])
-					{
-						k = 1;
-						for (l=0; l<num_bond[label[i]]; l++)
-							if (bond[label[i]][l] == label[j])
-								k = 0;
-
-						if (k == 1)
-						{
-							bond[label[i]][num_bond[label[i]]] = label[j];
-							num_bond[label[i]]++;
-							bond[label[j]][num_bond[label[j]]] = label[i];
-							num_bond[label[j]]++;
-
-							if (chs > 0)
-							{
-								bond_array[label[i]][label[j]] = (100*min00 - fmod(100*min00, 1));
-								bond_array[label[j]][label[i]] = (100*min00 - fmod(100*min00, 1));
-							}
-						}
-					}
-					else
-					{
-						min = sqrt ((a[label_mol[i][0][1]][0][1]-a[label_mol[j][0][0]][0][0])*(a[label_mol[i][0][1]][0][1]-a[label_mol[j][0][0]][0][0]) + (a[label_mol[i][0][1]][1][1]-a[label_mol[j][0][0]][1][0])*(a[label_mol[i][0][1]][1][1]-a[label_mol[j][0][0]][1][0]) + (a[label_mol[i][0][1]][2][1]-a[label_mol[j][0][0]][2][0])*(a[label_mol[i][0][1]][2][1]-a[label_mol[j][0][0]][2][0]));
-						h = 0;
-						while (label_mol[i][h][1] != 10000)
-						{
-							k = 0;
-							while (label_mol[j][k][0] != 10000)
-							{
-								leng = sqrt ((a[label_mol[i][h][1]][0][1]-a[label_mol[j][k][0]][0][0])*(a[label_mol[i][h][1]][0][1]-a[label_mol[j][k][0]][0][0]) + (a[label_mol[i][h][1]][1][1]-a[label_mol[j][k][0]][1][0])*(a[label_mol[i][h][1]][1][1]-a[label_mol[j][k][0]][1][0]) + (a[label_mol[i][h][1]][2][1]-a[label_mol[j][k][0]][2][0])*(a[label_mol[i][h][1]][2][1]-a[label_mol[j][k][0]][2][0]));
-								if (leng < min)
-									min = leng;
-								k++;
-							}
-							h++;
-						}
-
-						if (min < bond_param[1])
-						{
-							k = 1;
-							for (l=0; l<num_bond[label[i]]; l++)
-								if (bond[label[i]][l] == label[j])
-									k = 0;
-
-							if (k == 1)
-							{
-								bond[label[i]][num_bond[label[i]]] = label[j];
-								num_bond[label[i]]++;
-								bond[label[j]][num_bond[label[j]]] = label[i];
-								num_bond[label[j]]++;
-
-								if (chs > 0)
-								{
-									bond_array[label[i]][label[j]] = (100*min00 - fmod(100*min00, 1));
-									bond_array[label[j]][label[i]] = (100*min00 - fmod(100*min00, 1));
-								}
-							}
-						}
-					}
-				}
-			}
-	break;
-	}
-
-
-	p = num_mol;
-	
-	for (i=0; i<num_mol; i++)
-		bin[i] = 1;
-
-	for (i=0; i<num_mol; i++)
-		if (num_bond[i] == 0)
-		{
-			bin[i] = 0;
-			agl[0]++;
-			p--;
-		}
-
-
-	y = 0;
-	while (p > 0)
-	{
-		x = 0;
-		k = 0;
-		while ((bin[x] == 0) && (x<num_mol))
-		{
-			x++;
-			k = 1;
-		}
-		if ((bin[0] == 1) && (x == 0))
-			k = 1;
-		
-
-		if (k == 1)
-			for (i=0; i<y; i++)
-				if (k == 1)
-					for (j=0; j<label_num[i]; j++)
-						if (k == 1)
-							for (l=0; l<num_bond[x]; l++)
-								if ((label[label_bond[i][j]] == label[bond[x][l]]) && (k == 1))
-								{
-									label_bond[i][label_num[i]] = x;
-									label_num[i]++;
-									bin[x] = 0;
-									p--;
-									k = 0;
-								}
-
-
-		if (k == 1)
-		{
-			label_num[y] = 1;
-			label_bond[y][0] = x;
-			bin[x] = 0;
-			p--;
-
-			for (i=0; i<label_num[y]; i++)
-				for (j=0; j<num_bond[label_bond[y][i]]; j++)
-					if (bin[bond[label_bond[y][i]][j]] == 1)
-					{
-						label_bond[y][label_num[y]] = bond[label_bond[y][i]][j];
-						label_num[y]++;
-						bin[bond[label_bond[y][i]][j]] = 0;
-						p--;
-					}
-
-			y++;
-		}
-	}
-
-
-	i = 0;
-	while ((label_num[i] != 0) && (i < 650))
-	{
-		agl[label_num[i]-1]++;
-
-		i++;
-	}
-
-
-	fprintf (fo, "STATISTICS:\n");
-	for (i=0; i<350; i++)
-		if (agl[i] != 0)
-		{
-			fprintf (fo, "%3i   -   ", i+1);
-			fprintf (fo, "%4i\n", agl[i]);
-		}
-	fprintf (fo, "______________________________\n");
-
-
-	for (i=0; i<350; i++)
-		agl_all[i] += agl[i];
-
-
-	i = 0;
-	while ((label_num[i] != 0) && (i < 650))
-	{
-		fprintf (fo, "    %i", label_num[i]);
-
-		if (chs == 2)
-		{
-			k = 0;
-			for (j=0; j<label_num[i]; j++)
-				k += num_bond[label_bond[i][j]] - 1;
-			if (k == (label_num[i]-2))
-			{
-				fprintf (fo, "\tlinear\n");
-				linear++;
-			}
-			else
-			{
-				l = k - label_num[i];
-				l = l / 2;
-				fprintf (fo, "\tcycle (%i)\n", l+1);
-				cycle++;
-			}
-
-		}
-		else
-			fprintf (fo, "\n");
-
-		for (j=0; j<label_num[i]; j++)
-		{
-			fprintf (fo, "%-5i   -", mol[label_bond[i][j]]);
-			for (k=0; k<num_bond[label_bond[i][j]]; k++)
-			{
-				fprintf (fo, "   %-5i", mol[bond[label_bond[i][j]][k]]);
-
-				if (chs > 0)
-				{
-					l = bond_array[label_bond[i][j]][bond[label_bond[i][j]][k]];
-					all_bond_stat[l-1]++;
-					q[0] = conv (l, 1);
-					q[1] = conv (l, 2);
-					q[2] = conv (l, 3);
-					fprintf (fo, "( %c.%c%c)", q[2], q[1], q[0]);
-				}
-			}
-			fprintf (fo, "\n");
-		}
-
-		
-		i++;
-	}
-
-	fprintf (fo, "____________________________________________________________\n");
-}
-
-
-
-void all_stat(FILE *fo, int chs)
-{
-	int i;
-	double k, l, t[2];
-	char q[3];
-
-
-	fprintf (fo, "\nSUMMARY STATISTIC:\n");
-
-
-	for (i=0; i<250; i++)
-		if (agl_all[i] != 0)
-		{
-			t[0] = agl_all[i];
-			t[1] = step;
-			k = t[0] / t[1];
-			t[1] = t[1] * num_mol;
-			l = t[0] / t[1] * (i+1);
-			fprintf (fo, "%3i   -   %7i   %7.2f   %8.5f\n", i+1, agl_all[i], k, l);
-		}
-
-
-	if (chs > 0)
-	{
-		fprintf (fo, "____________________\n");
-
-		k = 0;
-		for (i=0; i<500; i++)
-			k += all_bond_stat[i];
-
-		for (i=0; i<500; i++)
-			if (all_bond_stat[i] != 0)
-			{
-				q[2] = conv(i+1, 3);
-				q[1] = conv(i+1, 2);
-				q[0] = conv(i+1, 1);
-				t[0] = i + 1;
-				t[1] = t[0] / (bond_param[0] * 100);
-				t[0] = all_bond_stat[i];
-				t[0] = t[0] / k;
-				fprintf (fo, "%c.%c%c (%7.4f)   -   %4i   %7.5f\n", q[2], q[1], q[0], t[1], all_bond_stat[i], t[0]);
-			}
-
-
-		if (chs == 2)
-		{
-			i = linear + cycle;
-			t[0] = i;
-			t[1] = linear;
-			t[1] = t[1] / t[0];
-			fprintf (fo, "____________________\n");
-			fprintf (fo, "Linear molecules   -   %5i (%8.5f)\n", linear, t[1]);
-			t[1] = cycle;
-			t[1] = t[1] / t[0];
-			fprintf (fo, "Cycle molecules    -   %5i (%8.5f)\n", cycle, t[1]);
-		}
-	}
-}
-
-
-
-void agl_stat (FILE *fo)
-{
-	int i, j, h, k, l, molecule;
-	int num_bond[1000], bond[1000][20], bin[1000], label_bond[350], label_num;
-	double leng, min, min00;
-	char q[3];
-
-
-	for (i=0; i<num_mol; i++)
-		if (mol[i] == num_agl_atom)
-			molecule = i;
-
-
-	for (j=0; j<350; j++)
-	{
-		label_bond[j] = 0;
-	}
-	label_num = 0;
-
-	for (i=0; i<1000; i++)
-	{
-		for (j=0; j<20; j++)
-		{
-			bond[i][j] = 0;
-		}
-		num_bond[i] = 0;
-	}
-
-
-	switch (type_int)
-	{
-	case 1:
-		for (i=0; i<num_mol_ext; i++)
-			for (j=i+1; j<num_mol_ext; j++)
-			{
-				min = sqrt ((a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][0]][0][0])*(a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][0]][0][0]) + (a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][0]][1][0])*(a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][0]][1][0]) + (a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][0]][2][0])*(a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][0]][2][0]));
-				h = 0;
-				while (label_mol[label[i]][h][0] != 10000)
-				{
-					k = 0;
-					while (label_mol[label[j]][k][0] != 10000)
-					{
-						leng = sqrt ((a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][0]][0][0])*(a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][0]][0][0]) + (a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][0]][1][0])*(a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][0]][1][0]) + (a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][0]][2][0])*(a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][0]][2][0]));
-						if (leng < min)
-							min = leng;
-						k++;
-					}
-					h++;
-				}
-
-				if (min < bond_param[0])
-				{
-					k = 1;
-					for (l=0; l<num_bond[label[i]]; l++)
-						if (bond[label[i]][l] == label[j])
-							k = 0;
-					if ((num_bond[label[i]] == 0) && (i>(num_mol-1)))
-						k = 0;
-
-					if (k == 1)
-					{
-						bond[label[i]][num_bond[label[i]]] = label[j];
-						num_bond[label[i]]++;
-						bond[label[j]][num_bond[label[j]]] = label[i];
-						num_bond[label[j]]++;
-
-						bond_array[label[i]][label[j]] = (100*min - fmod(100*min, 1));
-						bond_array[label[j]][label[i]] = (100*min - fmod(100*min, 1));
-					}
-				}
-			}
-	break;
-	
-	case 2:
-		for (i=0; i<num_mol_ext; i++)
-			for (j=i+1; j<num_mol_ext; j++)
-			{
-				min = sqrt ((a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][0]][0][0])*(a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][0]][0][0]) + (a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][0]][1][0])*(a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][0]][1][0]) + (a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][0]][2][0])*(a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][0]][2][0]));
-				h = 0;
-				while (label_mol[label[i]][h][0] != 10000)
-				{
-					k = 0;
-					while (label_mol[label[j]][k][0] != 10000)
-					{
-						leng = sqrt ((a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][0]][0][0])*(a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][0]][0][0]) + (a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][0]][1][0])*(a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][0]][1][0]) + (a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][0]][2][0])*(a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][0]][2][0]));
-						if (leng < min)
-							min = leng;
-						k++;
-					}
-					h++;
-				}
-
-				if (min < bond_param[0])
-				{
-					min00 = min;
-					min = sqrt ((a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][1]][0][1])*(a[label_mol[i][0][0]][0][0]-a[label_mol[j][0][1]][0][1]) + (a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][1]][1][1])*(a[label_mol[i][0][0]][1][0]-a[label_mol[j][0][1]][1][1]) + (a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][1]][2][1])*(a[label_mol[i][0][0]][2][0]-a[label_mol[j][0][1]][2][1]));
-					h = 0;
-					while (label_mol[label[i]][h][0] != 10000)
-					{
-						k = 0;
-						while (label_mol[label[j]][k][1] != 10000)
-						{
-							leng = sqrt ((a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][1]][0][1])*(a[label_mol[i][h][0]][0][0]-a[label_mol[j][k][1]][0][1]) + (a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][1]][1][1])*(a[label_mol[i][h][0]][1][0]-a[label_mol[j][k][1]][1][1]) + (a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][1]][2][1])*(a[label_mol[i][h][0]][2][0]-a[label_mol[j][k][1]][2][1]));
-							if (leng < min)
-								min = leng;
-							k++;
-						}
-						h++;
-					}
-
-					if (min < bond_param[1])
-					{
-						k = 1;
-						for (l=0; l<num_bond[label[i]]; l++)
-							if (bond[label[i]][l] == label[j])
-								k = 0;
-						if ((num_bond[label[i]] == 0) && (i>(num_mol-1)))
-							k = 0;
-
-						if (k == 1)
-						{
-							bond[label[i]][num_bond[label[i]]] = label[j];
-							num_bond[label[i]]++;
-							bond[label[j]][num_bond[label[j]]] = label[i];
-							num_bond[label[j]]++;
-
-							bond_array[label[i]][label[j]] = (100*min00 - fmod(100*min00, 1));
-							bond_array[label[j]][label[i]] = (100*min00 - fmod(100*min00, 1));
-						}
-					}
-					else
-					{
-						min = sqrt ((a[label_mol[i][0][1]][0][1]-a[label_mol[j][0][0]][0][0])*(a[label_mol[i][0][1]][0][1]-a[label_mol[j][0][0]][0][0]) + (a[label_mol[i][0][1]][1][1]-a[label_mol[j][0][0]][1][0])*(a[label_mol[i][0][1]][1][1]-a[label_mol[j][0][0]][1][0]) + (a[label_mol[i][0][1]][2][1]-a[label_mol[j][0][0]][2][0])*(a[label_mol[i][0][1]][2][1]-a[label_mol[j][0][0]][2][0]));
-						h = 0;
-						while (label_mol[label[i]][h][1] != 10000)
-						{
-							k = 0;
-							while (label_mol[label[j]][k][0] != 10000)
-							{
-								leng = sqrt ((a[label_mol[i][h][1]][0][1]-a[label_mol[j][k][0]][0][0])*(a[label_mol[i][h][1]][0][1]-a[label_mol[j][k][0]][0][0]) + (a[label_mol[i][h][1]][1][1]-a[label_mol[j][k][0]][1][0])*(a[label_mol[i][h][1]][1][1]-a[label_mol[j][k][0]][1][0]) + (a[label_mol[i][h][1]][2][1]-a[label_mol[j][k][0]][2][0])*(a[label_mol[i][h][1]][2][1]-a[label_mol[j][k][0]][2][0]));
-								if (leng < min)
-									min = leng;
-								k++;
-							}
-							h++;
-						}
-
-						if (min < bond_param[1])
-						{
-							k = 1;
-							for (l=0; l<num_bond[label[i]]; l++)
-								if (bond[label[i]][l] == label[j])
-									k = 0;
-							if ((num_bond[label[i]] == 0) && (i>(num_mol-1)))
-								k = 0;
-
-							if (k == 1)
-							{
-								bond[label[i]][num_bond[label[i]]] = label[j];
-								num_bond[label[i]]++;
-								bond[label[j]][num_bond[label[j]]] = label[i];
-								num_bond[label[j]]++;
-
-								bond_array[label[i]][label[j]] = (100*min00 - fmod(100*min00, 1));
-								bond_array[label[j]][label[i]] = (100*min00 - fmod(100*min00, 1));
-							}
-						}
-					}
-				}
-			}
-	break;
-	}
-
-
-	for (i=0; i<num_mol; i++)
-		bin[i] = 1;
-
-	
-	bin[molecule] = 0;
-	label_num = 1;
-	label_bond[0] = molecule;
-	for (i=0; i<label_num; i++)
-		for (j=0; j<num_bond[label_bond[i]]; j++)
-			if (bin[bond[label_bond[i]][j]] == 1)
-			{
-				label_bond[label_num] = bond[label_bond[i]][j];
-				label_num++;
-				bin[bond[label_bond[i]][j]] = 0;
-			}
-
-	fprintf (fo, "\nFILE:     %s\n", name);
-	fprintf (fo, "%6i", label_num);
-	k = 0;
-	for (i=0; i<label_num; i++)
-		k += num_bond[label_bond[i]] - 1;
-	if ((k == (label_num-2)) || (label_num == 1))
-	{
-		fprintf (fo, "\tlinear\n");
-	}
-	else
-	{
-		l = k - label_num;
-		l = l / 2;
-		fprintf (fo, "\tcycle (%i)\n", l+1);
-	}
-	for (i=0; i<label_num; i++)
-	{
-		fprintf (fo, "%-5i   ", mol[label_bond[i]]);
-		if (label_num > 1)
-			fprintf (fo, "-");
-		for (j=0; j<num_bond[label_bond[i]]; j++)
-		{
-			fprintf (fo, "   %-5i", mol[bond[label_bond[i]][j]]);
-
-			l = bond_array[label_bond[i]][bond[label_bond[i]][j]];
-			q[0] = conv (l, 1);
-			q[1] = conv (l, 2);
-			q[2] = conv (l, 3);
-			fprintf (fo, "( %c.%c%c)", q[2], q[1], q[0]);
-		}
-		fprintf (fo, "\n");
-	}
-
-	fprintf (fo, "____________________________________________________________\n");
-}
-
-
-
-void main()
-{
-	FILE *f;
-	FILE *f_in;
-	FILE *f_out;
-	int i, k, from, to, choise;
-	char name_out_file[128], q[256];
-
-
-	f_in = fopen ("input_stat.dat", "r");
-	for (i=0; i<5; i++)
-		fscanf (f_in, "%c", &q);
-	fscanf(f_in, "%s", &name);
-	for (i=0; i<18; i++)
-		fscanf (f_in, "%c", &q);
-	fscanf(f_in, "%i", &from);
-	fscanf(f_in, "%i", &to);
-	fgets (q, 256, f_in);
-	if (from > to) 
-	{
-		i = from; 
-		from = to; 
-		to = i;
-	}
-	for (i=0; i<15; i++)
-		fscanf (f_in, "%c", &q);
-	for (i=0; i<3;i++)
-		fscanf(f_in, "%lf", &cell_param[i]);
-	fgets (q, 256, f_in);
-	for (i=0; i<9; i++)
-		fscanf (f_in, "%c", &q);
-	fscanf (f_in, "%i", &choise);
-	fgets (q, 256, f_in);
-	for (i=0; i<12; i++)
-		fscanf (f_in, "%c", &q);
-	fscanf (f_in, "%i", &type_int);
-	fgets (q, 256, f_in);
-	for (i=0; i<11; i++)
-		fscanf (f_in, "%c", &q);
-	for (i=0; i<type_int; i++)
-		fscanf (f_in, "%i", &mol_atom_arr[i]);
-	fgets (q, 256, f_in);
-	for (i=0; i<9; i++)
-		fscanf (f_in, "%c", &q);
-	for (i=0; i<type_int; i++)
-		fscanf(f_in, "%lf", &bond_param[i]);
-	fgets (q, 256, f_in);
-	for (i=0; i<20; i++)
-		fscanf (f_in, "%c", &q);
-	fscanf (f_in, "%i", &num_agl_atom);
-	fgets (q, 256, f_in);
-	for (i=0; i<7; i++)
-		fscanf (f_in, "%c", &q);
-	fscanf(f_in, "%s", &name_out_file);
-	fclose (f_in);
-
-
-	step = to - from + 1;
-	k = strlen(name);
-
-
-	f_out=fopen(name_out_file, "w+");
-	fprintf (f_out, "stat_general ::: v.3.0 ::: 14/06/2010\n\n");
-	fprintf (f_out, "%s\n%i - %i\n\n",name, from, to);
-	fprintf (f_out, "Cell parametrs:\t%6.3f\t%6.3f\t%6.3f\n", cell_param[0], cell_param[1], cell_param[2]);
-	fprintf (f_out, "Intermolecular bond parametrs:");
-	for (i=0; i<type_int; i++)
-		fprintf (f_out, "\t%5.2f", bond_param[i]);
-	fprintf (f_out, "\n");
-	if (choise == 3)
-		fprintf (f_out, "Search molecule:%8i\n\n", num_agl_atom);
-	else
-		fprintf (f_out, "\n");
-
-	for (i=from; i<to+1; i++)
-	{
-		name[k]='.';
-		name[k+1]=conv(i,3);
-		name[k+2]=conv(i,2);
-		name[k+3]=conv(i,1);
-		name[k+4]='\0';
-		f=fopen(name, "r");
-
-		if (f == NULL) 
-			printf("File %s not found\n",name);
-		else 
-		{
-			printf("File %s opened.",name);
-			input_data(f);
-			printf (".");
-			if (choise == 3)
-				agl_stat(f_out);
-			else
-				stat(f_out, choise);
-			printf (".");
-			fclose (f);
-			printf ("...Ok!\n");
-		}
-	}
-
-	if (choise != 3)
-		all_stat(f_out, choise);
-}
diff --git a/stat/input_stat.dat b/stat/input_stat.dat
deleted file mode 100755
index 4b24bda..0000000
--- a/stat/input_stat.dat
+++ /dev/null
@@ -1,9 +0,0 @@
-Mask:	meth
-Trajectory step:	1	3	(first; last)
-Cell dimention:	24.42	24.40	24.49	(a; b; c)
-Parametr:	2	(0 - gen.stat; 1 - gen.stat and bonds length; 2 - gen.stat and bonds length and form of agl; 3 - stat for once molecule)
-Interaction:	2	(1 - mono; 2 - di)
-Atom types:	6	21	(1st atom, 2nd atom; or atom)
-Criteria:	3.2	2.4	(1-1 criterion, 1-2 criterion; or 1-1 criterion)
-Num of mol.for stat:	4
-Output:	out_all.dat
\ No newline at end of file
diff --git a/statgen/include/statgen/add_main.h b/statgen/include/statgen/add_main.h
index af64a6d..c928f5c 100644
--- a/statgen/include/statgen/add_main.h
+++ b/statgen/include/statgen/add_main.h
@@ -6,6 +6,7 @@ int error_checking (const float *, const int, const char *, const int, const int
 int printing_head (const char *, const int, const int, const char *, const int, 
                    const int, const float *, const int, const int *, const int, 
                    const float *, const int);
+int print_message (const int, FILE *, const int, FILE *, const int, const char *);
 int set_defaults (float *, int *, char *, int *, int *, int *, char *, int *, 
                   int *, int *);
 
diff --git a/statgen/src/CMakeLists.txt b/statgen/src/CMakeLists.txt
index 2582085..59e4619 100644
--- a/statgen/src/CMakeLists.txt
+++ b/statgen/src/CMakeLists.txt
@@ -13,15 +13,7 @@ set (PRIVATE_CLASSES)
 # headers only files
 SET (HEADERS_ONLY)
 # public srcs
-set (PUBLIC_CLASSES add_main 
-                    coords 
-                    graph 
-                    int2char 
-                    messages 
-                    stat_print 
-                    stat_select 
-                    stat_sort 
-                    summary_stat)
+set (PUBLIC_CLASSES)
 # public headers
 set (PUBLIC_HEADERS)
 # shared libraries
@@ -31,6 +23,17 @@ else ()
   set (ADDITIONAL_LIB)
 endif()
 set (SOURCES)
+# for library
+set (LIBRARY_NAME stat)
+set (LIB_SOURCES add_main 
+                 coords 
+                 graph 
+                 int2char 
+                 messages 
+                 stat_print 
+                 stat_select 
+                 stat_sort 
+                 summary_stat)
 
 # append list
 foreach (class ${PRIVATE_CLASSES})
@@ -49,12 +52,15 @@ foreach (class ${PUBLIC_CLASSES})
 endforeach ()
 
 # link libraries and compile
+add_library (${LIBRARY_NAME} SHARED ${LIB_SOURCES})
 add_executable (${PROJECT} ${MAIN_SOURCES} ${SOURCES})
-target_link_libraries (${PROJECT} ${ADDITIONAL_LIB})
+target_link_libraries (${PROJECT} ${ADDITIONAL_LIB} ${LIBRARY_NAME})
 
 # install properties
 INSTALL (TARGETS ${PROJECT} 
          DESTINATION bin)
+INSTALL (TARGETS ${LIBRARY_NAME} 
+         DESTINATION lib${LIB_SUFFIX})
 if (ADD_INCLUDE)
   INSTALL (FILES ${PUBLIC_HEADERS} 
            DESTINATION include/${PROJECT})
diff --git a/statgen/src/add_main.c b/statgen/src/add_main.c
index 85aa1a6..c8bfabb 100644
--- a/statgen/src/add_main.c
+++ b/statgen/src/add_main.c
@@ -2,6 +2,9 @@
  */
 
 #include <stdio.h>
+#include <string.h>
+
+// #include "messages.h"
 
 
 int error_checking (const float *cell, const int from, const char *input, 
@@ -36,7 +39,7 @@ int printing_head (const char *output, const int log, const int quiet,
   FILE *f_out;
   
   f_out = fopen (output, "w");
-  fprintf (f_out, "statgen ::: V.1.0.0 ::: 2013-07-17\n\n");
+  fprintf (f_out, "statgen ::: V.1.0.1 ::: 2013-07-23\n\n");
   fprintf (f_out, "CONFIGURATION\n");
   
   fprintf (f_out, "LOG=%i\nQUIET=%i\n", log, quiet);
@@ -64,6 +67,18 @@ int printing_head (const char *output, const int log, const int quiet,
 }
 
 
+int print_message (const int quiet, FILE *std_output, const int log, FILE *f_log, 
+                   const int mode, const char *str)
+{  
+  if (quiet != 1)
+    message (0, mode, str, std_output);
+  if (log == 1)
+    message (1, mode, str, f_log);
+  
+  return 0;
+}
+
+
 int set_defaults (float *cell, int *from, char *input, int *log, int *max_depth, 
                   int *num_of_inter, char *output, int *to, int *type_inter, int *quiet)
 {
diff --git a/statgen/src/graph.c b/statgen/src/graph.c
index a5bce71..1dcd9d5 100644
--- a/statgen/src/graph.c
+++ b/statgen/src/graph.c
@@ -105,6 +105,9 @@ int graph_analyze (const int N, const int *matrix, const int max_depth, int *iso
 //   convert to matrix of weight
   pn = (int *) malloc (N * sizeof (int));
   n_cycle = (int *) malloc ((depth - 2) * sizeof (int));
+  if ((pn == NULL) || 
+    (n_cycle == NULL))
+    return 1;
   for (i=0; i<N; i++)
     pn[i] = 0;
   for (i=0; i<N; i++)
@@ -129,5 +132,5 @@ int graph_analyze (const int N, const int *matrix, const int max_depth, int *iso
   free (n_cycle);
   free (pn);
   
-  return 1;
+  return 0;
 }
\ No newline at end of file
diff --git a/statgen/src/main.c b/statgen/src/main.c
index b9fdb23..15cc0c5 100644
--- a/statgen/src/main.c
+++ b/statgen/src/main.c
@@ -78,7 +78,7 @@ int main (int argc, char *argv[])
     {
       sprintf (tmp_str, "                                        statgen\n");
       sprintf (tmp_str, "%sProgram for analyze molecular dynamic trajectories\n", tmp_str);
-      sprintf (tmp_str, "%sVersion : 1.0.0                                                    License : GPL\n", tmp_str);
+      sprintf (tmp_str, "%sVersion : 1.0.1                                                    License : GPL\n", tmp_str);
       sprintf (tmp_str, "%s                                                    Evgeniy Alekseev aka arcanis\n", tmp_str);
       sprintf (tmp_str, "%s                                                    E-mail : esalexeev@gmail.com\n\n", tmp_str);
       sprintf (tmp_str, "%sUsage:\n", tmp_str);
@@ -132,6 +132,8 @@ int main (int argc, char *argv[])
           type_inter++;
       
       label_atom = (int *) malloc (type_inter * sizeof (int));
+      if (label_atom == NULL)
+        return 1;
       switch (type_inter)
       {
         case 1:
@@ -198,16 +200,8 @@ int main (int argc, char *argv[])
   if (log == 1)
     f_log = fopen (logfile, "w");
   
-  if (quiet != 1)
-  {
-    message (0, 0, argv[0], stdout);
-    message (0, 1, argv[0], stdout);
-  }
-  if (log == 1)
-  {
-    message (1, 0, argv[0], f_log);
-    message (1, 1, argv[0], f_log);
-  }
+  print_message (quiet, stdout, log, f_log, 0, argv[0]);
+  print_message (quiet, stdout, log, f_log, 1, argv[0]);
   
   //   error checking
   error = error_checking (cell, from, input, max_depth, num_of_inter, output, to, 
@@ -221,10 +215,7 @@ int main (int argc, char *argv[])
     return 1;
   }
   
-  if (quiet != 1)
-    message (0, 2, argv[0], stdout);
-  if (log == 1)
-    message (1, 2, argv[0], f_log);
+  print_message (quiet, stdout, log, f_log, 2, argv[0]);
   
 //   processing
 //   initial variables
@@ -235,10 +226,7 @@ int main (int argc, char *argv[])
   filename[k+2] = conv (from, 2);
   filename[k+3] = conv (from, 1);
   filename[k+4] = '\0';
-  if (quiet != 1)
-    message (0, 3, filename, stdout);
-  if (log == 1)
-    message (1, 3, filename, f_log);
+  print_message (quiet, stdout, log, f_log, 3, filename);
   f_inp = fopen (filename, "r");
   if (f_inp == NULL)
   {
@@ -282,58 +270,31 @@ int main (int argc, char *argv[])
 //   set type_agl to zero
   for (i=0; i<max_depth+2; i++)
     type_agl[i] = 0;
-  if (quiet != 1)
-  {
-    sprintf (tmp_str, "%6cOutput file: '%s';\n%6cLog: %i;\n%6cQuiet: %i;\n\
+  sprintf (tmp_str, "%6cOutput file: '%s';\n%6cLog: %i;\n%6cQuiet: %i;\n\
 %6cMask: %s;\n%6cFirst step: %i;\n%6cLast step: %i;\n%6cCell size: %.4f, %.4f, %.4f;\n\
 %6cSelect atoms: %i", ' ', output, ' ', log, ' ', quiet, ' ', input, ' ', from, 
 ' ' , to, ' ', cell[0], cell[1], cell[2], ' ' , label_atom[0]);
-    for (i=1; i<type_inter; i++)
-      sprintf (tmp_str, "%s,%i", tmp_str, label_atom[i]);
-    sprintf (tmp_str, "%s;\n", tmp_str);
-    for (i=0; i<num_of_inter; i++)
-    {
-      sprintf (tmp_str, "%s%6cInteraction: ", tmp_str, ' ');
-      for (j=0; j<16; j++)
-        if ((crit[16*i+j] != 0.0) && 
-          ((j != 4) && (j != 8) && (j != 9) && (j != 12) && (j != 13) && (j != 14)))
-          sprintf (tmp_str, "%s%i-%i:%4.2f,", tmp_str, j/4, j%4, crit[16*i+j]);
-      sprintf (tmp_str, "%s;\n", tmp_str);
-    }
-    sprintf (tmp_str, "%s%6cIsomorphism check: %i\n", tmp_str, ' ', max_depth);
-    message (0, 5, tmp_str, stdout);
-  }
-  if (log == 1)
+  for (i=1; i<type_inter; i++)
+    sprintf (tmp_str, "%s,%i", tmp_str, label_atom[i]);
+  sprintf (tmp_str, "%s;\n", tmp_str);
+  for (i=0; i<num_of_inter; i++)
   {
-    sprintf (tmp_str, "%34cOutput file: '%s';\n%34cLog: %i;\n%34cQuiet: %i;\n\
-%34cMask: %s;\n%34cFirst step: %i;\n%34cLast step: %i;\n%34cCell size: %.4f, %.4f, %.4f;\n\
-%34cSelect atoms: %i", ' ', output, ' ', log, ' ', quiet, ' ', input, ' ', from, 
-' ' , to, ' ', cell[0], cell[1], cell[2], ' ' , label_atom[0]);
-    for (i=1; i<type_inter; i++)
-      sprintf (tmp_str, "%s,%i", tmp_str, label_atom[i]);
+    sprintf (tmp_str, "%s%6cInteraction: ", tmp_str, ' ');
+    for (j=0; j<16; j++)
+      if ((crit[16*i+j] != 0.0) && 
+        ((j != 4) && (j != 8) && (j != 9) && (j != 12) && (j != 13) && (j != 14)))
+        sprintf (tmp_str, "%s%i-%i:%4.2f,", tmp_str, j/4, j%4, crit[16*i+j]);
     sprintf (tmp_str, "%s;\n", tmp_str);
-    for (i=0; i<num_of_inter; i++)
-    {
-      sprintf (tmp_str, "%s%34cInteraction: ", tmp_str, ' ');
-      for (j=0; j<16; j++)
-        if ((crit[16*i+j] != 0.0) && 
-          ((j != 4) && (j != 8) && (j != 9) && (j != 12) && (j != 13) && (j != 14)))
-          sprintf (tmp_str, "%s%i-%i:%4.2f,", tmp_str, j/4, j%4, crit[16*i+j]);
-      sprintf (tmp_str, "%s;\n", tmp_str);
-    }
-    sprintf (tmp_str, "%s%34cIsomorphism check: %i\n", tmp_str, ' ', max_depth);
-    message (1, 5, tmp_str, f_log);
   }
+  sprintf (tmp_str, "%s%6cIsomorphism check: %i\n", tmp_str, ' ', max_depth);
+  print_message (quiet, stdout, log, f_log, 5, tmp_str);
   
 //   head
   printing_head (output, log, quiet, input, from, to, cell, type_inter, label_atom, 
                  num_of_inter, crit, max_depth);
   
 //   main cycle
-  if (quiet != 1)
-    message (0, 6, argv[0], stdout);
-  if (log == 1)
-    message (1, 6, argv[0], f_log);
+  print_message (quiet, stdout, log, f_log, 6, argv[0]);
   for (i=from; i<to+1; i++)
   {
 //     reading coordinates
@@ -341,26 +302,14 @@ int main (int argc, char *argv[])
     filename[k+2] = conv (i, 2);
     filename[k+3] = conv (i, 1);
     filename[k+4] = '\0';
-    if (quiet != 1)
-      message (0, 7, filename, stdout);
-    if (log == 1)
-      message (1, 7, filename, f_log);
+    print_message (quiet, stdout, log, f_log, 7, filename);
     error = reading_coords (filename, type_inter, label_atom, cell, &num_mol, 
                             &num_atoms, true_label_mol, label_mol, type_atoms, coords);
     if (error != 1)
     {
-      if (quiet != 1)
-      {
-        sprintf (tmp_str, "%6cNumber of molecules: %i\n%6cNumber of atoms: %i\n", 
+      sprintf (tmp_str, "%6cNumber of molecules: %i; %6cNumber of atoms: %i\n", 
                  ' ', num_mol, ' ', num_atoms);
-        message (0, 8, tmp_str, stdout);
-      }
-      if (log == 1)
-      {
-        sprintf (tmp_str, "%6cNumber of molecules: %i\n%34cNumber of atoms: %i\n", 
-                 ' ', num_mol, ' ', num_atoms);
-        message (1, 8, tmp_str, f_log);
-      }
+      print_message (quiet, stdout, log, f_log, 8, tmp_str);
     }
     
 //     resize dynamic arrays
@@ -387,62 +336,37 @@ int main (int argc, char *argv[])
         fputs (tmp_str, f_log);
       return 18;
     }
-    if (quiet != 1)
-      message (0, 9, argv[0], stdout);
-    if (log == 1)
-      message (1, 9, argv[0], f_log);
+    print_message (quiet, stdout, log, f_log, 9, argv[0]);
     
 //     analyze
     if (error == 0)
     {
       error = 1;
       error = create_matrix (num_mol, num_atoms, label_mol, type_atoms, coords, 
-                            num_of_inter, crit, connect);
+                             num_of_inter, crit, connect);
       if (error == 0)
       {
-        if (quiet != 1)
-          message (0, 10, argv[0], stdout);
-        if (log == 1)
-          message (1, 10, argv[0], f_log);
+        print_message (quiet, stdout, log, f_log, 10, argv[0]);
         error = 1;
         error = proc_matrix (num_mol, connect, num_mol_agl, agl, stat, stat_all);
         if (error == 0)
         {
-          if (quiet != 1)
-            message (0, 11, argv[0], stdout);
-          if (log == 1)
-            message (1, 11, argv[0], f_log);
+          print_message (quiet, stdout, log, f_log, 11, argv[0]);
           error = printing_agl (filename, output, connect, num_mol, true_label_mol, 
                                 num_mol_agl, agl, stat, max_depth, type_agl);
           if (error == 0)
-          {
-            if (quiet != 1)
-              message (0, 12, output, stdout);
-            if (log == 1)
-              message (1, 12, output, f_log);
-          }
+            print_message (quiet, stdout, log, f_log, 12, output);
         }
       }
     }
   }
   
-  if (quiet != 1)
-  {
-    message (0, 13, argv[0], stdout);
-    message (0, 14, output, stdout);
-  }
-  if (log == 1)
-  {
-    message (1, 13, argv[0], f_log);
-    message (1, 14, output, f_log);
-  }
+  print_message (quiet, stdout, log, f_log, 13, argv[0]);
+  print_message (quiet, stdout, log, f_log, 14, output);
 //     tail
   summary_statistic (output, step, num_mol, max_depth, type_agl, stat_all);
   
-  if (quiet != 1)
-    message (0, 15, argv[0], stdout);
-  if (log == 1)
-    message (1, 15, argv[0], f_log);
+  print_message (quiet, stdout, log, f_log, 15, argv[0]);
 //   free memory
   free (agl);
   free (connect);
@@ -456,10 +380,7 @@ int main (int argc, char *argv[])
   free (type_agl);
   free (type_atoms);
   
-  if (quiet != 1)
-    message (0, 16, argv[0], stdout);
-  if (log == 1)
-    message (1, 16, argv[0], f_log);
+  print_message (quiet, stdout, log, f_log, 16, argv[0]);
   
   if (log == 1)
     fclose (f_log);
diff --git a/statgen/src/messages.c b/statgen/src/messages.c
index 03f8a35..88e5112 100644
--- a/statgen/src/messages.c
+++ b/statgen/src/messages.c
@@ -1,14 +1,14 @@
-/* Library for printing messages at stdout
+/* Library for printing messages at output
  *
  * Usage:
- *                                             message (log, mode, text, stdout)
+ *                                             message (log, mode, text, output)
  */
 
 #include <stdio.h>
 #include <time.h>
 
 
-int message (const int log, const int mode, const char *text, FILE *stdout)
+int message (const int log, const int mode, const char *text, FILE *output)
 /* mode             - number of message
  * text             - additional text
  */
@@ -18,17 +18,17 @@ int message (const int log, const int mode, const char *text, FILE *stdout)
   if (log == 1)
   {
     char time_str[256];
-    time_t t = time(NULL);
-    struct tm* aTm = localtime(&t);
-    sprintf(time_str, "[%04d-%02d-%02d %02d:%02d:%02d] [%2i]: ", aTm->tm_year+1900, 
+    time_t t = time (NULL);
+    struct tm* aTm = localtime (&t);
+    sprintf (time_str, "[%04d-%02d-%02d %02d:%02d:%02d] [%2i]: ", aTm->tm_year+1900, 
             aTm->tm_mon+1, aTm->tm_mday, aTm->tm_hour, aTm->tm_min, aTm->tm_sec, mode);
-    fputs (time_str, stdout);
+    fputs (time_str, output);
   }
   
   switch (mode)
   {
     case 0:
-      sprintf (out, "Starting program: '%s' (Ver.1.0.0)\n", text);
+      sprintf (out, "Starting program: '%s'\n", text);
       break;
     case 1:
       sprintf (out, "Checking errors\n");
@@ -79,6 +79,6 @@ int message (const int log, const int mode, const char *text, FILE *stdout)
       break;
   }
   
-  fputs (out, stdout);
+  fputs (out, output);
   return 0;
 }
\ No newline at end of file
diff --git a/statgen/src/stat_print.c b/statgen/src/stat_print.c
index 81fea6f..c8ea24c 100644
--- a/statgen/src/stat_print.c
+++ b/statgen/src/stat_print.c
@@ -27,7 +27,7 @@ int printing_agl (const char *input, const char *output, const int *connect,
  * type_agl         - massive of numbers of aglomerate types
  */
 {
-  int i, *iso, j, k, *label_matrix, *matrix;
+  int error, i, *iso, j, k, *label_matrix, *matrix;
   FILE *f_out;
 /* iso              - isomorphic graph in database
  * label_matrix     - massive of indexes of molecule
@@ -36,6 +36,8 @@ int printing_agl (const char *input, const char *output, const int *connect,
  */
   
   iso = (int *) malloc (max_depth * sizeof (int));
+  if (iso == NULL)
+    return 1;
   f_out = fopen (output, "a");
   
 //   head
@@ -50,14 +52,14 @@ int printing_agl (const char *input, const char *output, const int *connect,
     if (num_mol_agl[i] > 0)
     {
 //       creating connectivity graph
-      matrix = (int *) malloc (num_mol_agl[i] * num_mol_agl[i] * sizeof (int));
-      for (j=0; j<num_mol_agl[i]; j++)
-        for (k=0; k<num_mol_agl[i]; k++)
-          matrix[num_mol_agl[i]*j+k] = 0;
       label_matrix = (int *) malloc (num_mol * sizeof (int));
+      matrix = (int *) malloc (num_mol_agl[i] * num_mol_agl[i] * sizeof (int));
       if ((matrix == NULL) ||
         (label_matrix == NULL))
         return 1;
+      for (j=0; j<num_mol_agl[i]; j++)
+        for (k=0; k<num_mol_agl[i]; k++)
+          matrix[num_mol_agl[i]*j+k] = 0;
       
       for (j=0; j<num_mol_agl[i]; j++)
         label_matrix[agl[num_mol*i+j]] = j;
@@ -71,7 +73,9 @@ int printing_agl (const char *input, const char *output, const int *connect,
 
 //       graph topology analyze
       if (max_depth > 0)
-        graph_analyze (num_mol_agl[i], matrix, max_depth, iso);
+        error = graph_analyze (num_mol_agl[i], matrix, max_depth, iso);
+      if (error > 0)
+        return 1;
       
 //       printing class of aglomerate
       fprintf (f_out, "AGL=%i=", num_mol_agl[i]);
diff --git a/statgen/statgen.cmake b/statgen/statgen.cmake
index 02ec877..594b0d0 100644
--- a/statgen/statgen.cmake
+++ b/statgen/statgen.cmake
@@ -1,13 +1,12 @@
 # set directories
-set ("${PROJECT}_BINARY_DIR"  bin)
-set ("${PROJECT}_SOURCE_DIR" src:include)
-set ("${PROJECT}_LIB_DIR" lib)
+set (${PROJECT}_BINARY_DIR bin)
+set (${PROJECT}_SOURCE_DIR src:include)
+set (${PROJECT}_LIB_DIR lib)
 
 set (CMAKE_INCLUDE_PATH ${${PROJECT}_SOURCE_DIR})
 set (CMAKE_LIBRARY_PATH ${${PROJECT}_LIB_DIR})
 set (EXECUTABLE_OUTPUT_PATH ${PROJECT_SOURCE_DIR}/${${PROJECT}_BINARY_DIR})
 set (CMAKE_VERBOSE_MAKEFILE ON)
-set (CMAKE_BUILD_TYPE Debug)
 
 if ( WITH_DEBUG_MODE )
   ADD_DEFINITIONS ( -DDEBUG_MODE=1 )
@@ -18,5 +17,5 @@ if ( CMAKE_COMPILER_IS_GNUCXX )
   set (CMAKE_CXX_FLAGS "-O0 ${ADD_CXX_FLAGS}")
   set (CMAKE_CXX_FLAGS_DEBUG "-g -O0")
 else ()
-  message ("not yet")
+  message ("Not enabled")
 endif ()
\ No newline at end of file