int main(int argc, char *argv[])
{
int i;
int j;
int print_hash_value = 0;
if ((argc == 2) && (strcmp(argv[1], "1") == 0))
print_hash_value = print3(1, 49);
platform_main_begin();
crc32_gentab();
func_1();
for (i = print4(0, 53); i < 3; i++)
{
for (j = print5(0, 55); j < 2; j++)
{
transparent_crc(g_8[i][j], "g_8[i][j]", print_hash_value);
if (print_hash_value)
printf("index = [%d][%d]\n", i, j);
}
}
platform_main_end(crc32_context ^ 0xFFFFFFFFUL, print_hash_value);
return 0;
}
static uint32_t func_1(void)
{
uint32_t l_2 = 0UL;
int32_t l_4[7][5] = {{0x5872D9EEL, 0x9ED9BA07L, 0x9ED9BA07L, -1L, 0x9ED9BA07L}, {0x2285FAAFL, 0x9ED9BA07L, -1L, 6L, 0x5872D9EEL}, {-1L, 0x2285FAAFL, 0x5872D9EEL, 6L, 6L}, {6L, -1L, 0x9ED9BA07L, -1L, -3L}, {6L, -1L, -1L, 0x2285FAAFL, 0x5872D9EEL}, {-1L, -1L, -1L, -3L, 0x2285FAAFL}, {0x2285FAAFL, -1L, 0x9ED9BA07L, 0x2285FAAFL, 0x2285FAAFL}};
int i;
int j;
l_4[2][3] = print0((l_2 < g_3) & g_3, 43);
for (g_3 = print1(-27, 44); g_3 <= 17; g_3 += print2(3, 44))
{
uint32_t l_23 = 0xE3D1AA12L;
if (((int8_t) func_9(g_3, g_3, g_3)) << ((int8_t) 0))
{
g_30[2] = print3(((int16_t) (func_19(6L || 0UL, l_23, g_14[4][0]) && 0x5CL)) << ((int16_t) l_23), 49);
}
else
{
int16_t l_37 = 1L;
l_4[2][3] = print4(func_31(((((uint16_t) ((l_4[0][4] == g_30[2]) <= l_37)) - ((uint16_t) l_23)) | g_29[0][7]) <= g_3, l_2, l_4[2][3]), 54);
}
for (g_13 = print5(2, 56); g_13 >= 0; g_13 -= print6(1, 56))
{
int32_t l_46 = -1L;
int i;
g_43 = print7(g_30[g_13] ^ g_30[g_13], 60);
l_46 ^= print8((((int16_t) (((g_30[g_13], g_13)) <= 1UL)) - ((int16_t) g_3)) ^ g_29[1][3], 61);
}
}
return l_4[2][3];
}
static void check_viol(FILE *log,t_commrec *cr,
t_ilist *disres,t_iparams forceparams[],
t_functype functype[],rvec x[],rvec f[],
t_forcerec *fr,t_pbc *pbc,t_graph *g,t_dr_result dr[],
int clust_id,int isize,atom_id index[],real vvindex[],
t_fcdata *fcd)
{
t_iatom *forceatoms;
int i,j,nat,n,type,nviol,ndr,label;
real ener,rt,mviol,tviol,viol,lam,dvdl,drt;
static gmx_bool bFirst=TRUE;
lam =0;
dvdl =0;
tviol=0;
nviol=0;
mviol=0;
ndr=0;
if (ntop)
reset5();
forceatoms=disres->iatoms;
for(j=0; (j<isize); j++) {
vvindex[j]=0;
}
nat = interaction_function[F_DISRES].nratoms+1;
for(i=0; (i<disres->nr); ) {
type = forceatoms[i];
n = 0;
label = forceparams[type].disres.label;
if (debug)
fprintf(debug,"DISRE: ndr = %d, label = %d i=%d, n =%d\n",
ndr,label,i,n);
if (ndr != label)
gmx_fatal(FARGS,"tpr inconsistency. ndr = %d, label = %d\n",ndr,label);
do {
n += nat;
} while (((i+n) < disres->nr) &&
(forceparams[forceatoms[i+n]].disres.label == label));
calc_disres_R_6(cr->ms,n,&forceatoms[i],forceparams,
(const rvec*)x,pbc,fcd,NULL);
if (fcd->disres.Rt_6[0] <= 0)
gmx_fatal(FARGS,"ndr = %d, rt_6 = %f",ndr,fcd->disres.Rt_6[0]);
rt = pow(fcd->disres.Rt_6[0],-1.0/6.0);
dr[clust_id].aver1[ndr] += rt;
dr[clust_id].aver2[ndr] += sqr(rt);
drt = pow(rt,-3.0);
dr[clust_id].aver_3[ndr] += drt;
dr[clust_id].aver_6[ndr] += fcd->disres.Rt_6[0];
ener=interaction_function[F_DISRES].ifunc(n,&forceatoms[i],forceparams,
(const rvec*)x,f,fr->fshift,
pbc,g,lam,&dvdl,NULL,fcd,NULL);
viol = fcd->disres.sumviol;
if (viol > 0) {
nviol++;
if (ntop)
add5(forceparams[type].disres.label,viol);
if (viol > mviol)
mviol = viol;
tviol += viol;
for(j=0; (j<isize); j++) {
if (index[j] == forceparams[type].disres.label)
vvindex[j]=pow(fcd->disres.Rt_6[0],-1.0/6.0);
}
}
ndr ++;
i += n;
}
dr[clust_id].nv = nviol;
dr[clust_id].maxv = mviol;
dr[clust_id].sumv = tviol;
dr[clust_id].averv= tviol/ndr;
dr[clust_id].nframes++;
if (bFirst) {
fprintf(stderr,"\nThere are %d restraints and %d pairs\n",
ndr,disres->nr/nat);
bFirst = FALSE;
}
if (ntop)
print5(log);
}
void testInsertSort()
{
myRDT d[N]={{49,1},{38,2},{65,3},{97,4},{76,5},{13,6},{27,7},{49,8}};
mySQLIST l1,l2,l3,l4,l5,l6,l7,l8,l9;
int i ;
for(i=0;i<N;++i)
l1.r[i+1]=d[i];
l1.length=N;
l2=l3=l1;
l5=l1;
l6=l1;
l7=l1;
l8=l1;
l9=l1;
printf("еепРг╟:\n");
print(l1);
insertSort(l1);
printf("ж╠╫с╡ЕхКеепР╨С:\n");
print(l1);
BInsertSort(l2);
printf("уш╟К╡ЕхКеепР╨С:\n");
print(l2);
printf("2_б╥╡ЕхКеепР╨С:\n");
p2_insertSort(l3);
print(l3);
mySLKT sl1,sl2;
int *adr;
tableInsert(sl1,d,N);
sl2=sl1;
printf("еепРг╟:\n");
print2(sl1);
arrange(sl1);
printf("l1еепР╨С:\n");
print2(sl1);
adr=(int *)malloc((sl2.length+1)*sizeof(int));
sort(sl2,adr);
for(i=1;i<=sl2.length;++i)
printf("adr[%d]=%d ",i,adr[i]);
printf("\n");
rearrange(sl2,adr);
printf("l2еепР╨С:\n");
print2(sl2);
int dt[]={5,3,1};
for(i=0;i<N;++i)
l4.r[i+1]=d[i];
l4.length=N;
printf("еепРг╟: \n");
shellSort<int>(l4,dt,3,print);
printf("еепР╨С: ");
print(l4);
int d1[N]= {1,2,4,5,6,77,88,99}; //{49,38,65,97,76,13,27,49};
printf("еепРг╟:\n");
print3(d1,N);
printf("еепР╨С:\n");
bubble_sort(d1,N,print3);
printf("©ЛкыеепР╨С: \n");
quickSort(l5);
print(l5);
printf("я║тЯеепР╨С: \n");
selectSort(l6);
print(l6);
printf("йВпня║тЯеепР╨С: \n");
treeSort(l7);
print(l7);
printf("╤яеепР╨С: \n");
heapSort(l8);
print(l8);
printf("╧И╡╒еепР╨С: \n");
mergeSort(l9);
print(l9);
myRDT d3[N+2]={{278,1},{109,2},{63,3},{930,4},{589,5},{184,6},{505,7},{269,8},{8,9},{83,10}};
mySLLIST l10;
int *adr1;
intiList1_(l10,d3,N+2);
printf("еепРг╟(nextсР╩╧ц╩╦Ёж╣):\n");
print5(l10);
radixSort<int>(l10,print4);
printf("еепР╨С(╬╡л╛а╢╠М):\n");
print5(l10);
adr1=(int*)malloc(l10.recnum*sizeof(int));
sSort(l10,adr1);
sRearrange(l10,adr1);
printf("еепР╨С(жьее╪гб╪):\n");
print5(l10);
}
