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root/freemol/trunk/src/mengine/src/torsions.c
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# Line 5 | Line 5
5   #include "torsions.h"
6  
7   int isbond(int, int);
8 int istorsion(int, int);
8   void get_torsions(void);
9   void message_alert(char *, char *);
11 int is_metal(char *);
10   int is_linear(int);
11  
12   struct t_allene {
# Line 36 | Line 34
34         return TRUE;
35      return FALSE;
36   }      
39 //   ==================================      
40 int istorsion(int ia1, int ia2)
41 {
42    int i;
43
44    for (i=0; i < torsions.ntor; i++)
45    {
46        if (torsions.i14[i][0] == ia1 && torsions.i14[i][3] == ia2)
47          return TRUE;
48        if (torsions.i14[i][0] == ia2 && torsions.i14[i][3] == ia1)
49          return TRUE;
50    }
51    return FALSE;
52 }
37   //   ==================================        
38   void get_torsions()
39   {

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