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root/freemol/trunk/src/mengine/src/kopend.c
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# Line 1 | Line 1
1   #define EXTERN extern
2   #include "pcwin.h"
3 #include "pcmod.h"
4
3   #include "angles.h"
4  
5   EXTERN struct t_ooplane_k {
# Line 12 | Line 10
10  
11   void numeral(int,char *,int);
12   int get_field(void);
13 + void kopbend(int *type,int *tclass);
14   EXTERN int Missing_constants;
15  
16 < void kopbend()
16 > void kopbend(int *type,int *tclass)
17   {
18    int i, j, ia,ib,ic,id, jj, ierr,field;
19     int ita,itb, itc,itd, itd_class;
# Line 28 | Line 27
27        ia = angles.i13[i][0];
28        ib = angles.i13[i][1];
29        ic = angles.i13[i][2];
30 <      ita = atom.type[ia];
31 <      itb = atom.type[ib];
32 <      itc = atom.type[ic];
30 >      ita = type[ia];
31 >      itb = type[ib];
32 >      itc = type[ic];
33        ierr = FALSE;
34        if (angles.i13[i][3] != 0 )
35        {
36               // angle ia-ib-id-ic
37               id = angles.i13[i][3];
38 <             itd = atom.type[id];
39 <             itd_class = atom.tclass[id];
38 >             itd = type[id];
39 >             itd_class = tclass[id];
40               numeral(ita,pa,3);
41               numeral(itb,pb,3);
42               numeral(itc,pc,3);

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