void PointsCountMessageBox(const std::wstring s)
{
std::wstringstream msg;
msg << L"The text has " << countpoints(s) << L" points inside it.";
MessageBox(0, msg.str().c_str(), L"Points", MB_OK | MB_ICONEXCLAMATION);
}
/****connecthbonds()*********************************************************/
void connecthbonds(void)
{
float dlimhb,angfac;
int icountrewinds;
int Lmore,Lscan;
char a[3],resco[4],resnh[4],nhflag[4];
char flag3[4];
int numnh,numco;
float nxyz[4],nhxyz[4],oxyz[4];
/*mc hbonds calculation and output */
/*find all mc hbonds that fit distance and angle criteria */
/* write triplets vector: P n L h L o */
dlimhb = 3.5;
angfac = (float)2.3;
Lmore = TRUE;
Lscan = TRUE;
icountrewinds = 0;
rewindtextblock(&hbnscratch);
while( Lmore )
{/*Lmore loop over all nh's*/
getonetextblockline(&hbnscratch,temps);
if(temps[0]=='\0')
{
Lmore = 0;
break;
}
/*sscanf for nh stuff */
sscanf(temps,"%s %s %d %s %f %f %f %f %f %f",a,resnh,&numnh,nhflag
,&nxyz[1],&nxyz[2],&nxyz[3],&nhxyz[1],&nhxyz[2],&nhxyz[3]);
/*
sprintf(alertstr,"first nh working= "CRLF"%s %d %f %f %f %f %f %f"
,resnh,numnh,nxyz[1],nxyz[2],nxyz[3],nhxyz[1],nhxyz[2],nhxyz[3]);
DoReportDialog();
*/
Lscan = TRUE;
rewindtextblock(&hboscratch);
/*---------------------------------------------------------------------*/
icountrewinds++;
if(icountrewinds == 1 && IMAC) getmactextselect();
/*PKMCTEXT.C PKPCTEXT.C*/
/*macintosh TE variable used in pkintextreplace(temps)*/
/*PC dummies and ignores this */
sprintf(temps,"%d tries",icountrewinds);
/* . for each co - hn pair processed */
if(IPC) pkintextinsert(temps); /*PKMCTEXT.C PKPCTEXT.C*/
else pkintextreplace(temps); /*PKMCTEXT.C PKPCTEXT.C*/
nLines = nLines-1; /*overwrite for PC control*/
/*---------------------------------------------------------------------*/
while(Lscan)
{/*Lscan loop over all co's*/
getonetextblockline(&hboscratch,temps);
if(temps[0]=='\0')
{
Lscan = 0;
break;
}
/*sscanf for co stuff */
sscanf(temps,"%s %s %d %s %f %f %f"
,a,resco,&numco,flag3,&oxyz[1],&oxyz[2],&oxyz[3]);
/*
sprintf(alertstr,"co testing= "CRLF"%s %d %f %f %f"
,resco,numco,oxyz[1],oxyz[2],oxyz[3]);
DoReportDialog();
*/
/*check distance for possible h-bond from this carbonyl o to working nh */
if(numco != numnh) /*avoid nh - oc of same residue! */
{/*between different residues*/
disthb = (float)(sqrt( (nhxyz[1] - oxyz[1])*(nhxyz[1] - oxyz[1])
+ (nhxyz[2] - oxyz[2])*(nhxyz[2] - oxyz[2])
+ (nhxyz[3] - oxyz[3])*(nhxyz[3] - oxyz[3]) ) );
cosnho = (nhxyz[1] - nxyz[1])*(oxyz[1] - nhxyz[1])/disthb
+ (nhxyz[2] - nxyz[2])*(oxyz[2] - nhxyz[2])/disthb
+ (nhxyz[3] - nxyz[3])*(oxyz[3] - nhxyz[3])/disthb ;
dimhb = dlimhb - angfac + angfac*cosnho;
/*
sprintf(alertstr,"disthb= %f <= dimhb= %f",disthb,dimhb);
DoReportDialog();
*/
if(disthb <= dimhb)
{/*H-BOND*/
/*shorten ends of displayed vectors slightly for clarity */
oxyz[1] = (float)(oxyz[1] + 0.3*(nhxyz[1] - oxyz[1]));
oxyz[2] = (float)(oxyz[2] + 0.3*(nhxyz[2] - oxyz[2]));
oxyz[3] = (float)(oxyz[3] + 0.3*(nhxyz[3] - oxyz[3]));
/*mxyz[1] = (float)(nxyz[1] + 0.3*(nhxyz[1] - nxyz[1]));*/
/*mxyz[2] = (float)(nxyz[2] + 0.3*(nhxyz[2] - nxyz[2]));*/
/*mxyz[3] = (float)(nxyz[3] + 0.3*(nhxyz[3] - nxyz[3]));*/
/*write to regular scratch file*/
typenow=typehb;
/* distance as author comment */
/* U = Unpickable points */
/*--write from hn to shortened-end o */
/* note 4 char id: hb__ 920302*/
sprintf(temps,"hb {%s %d hn} <%4.3f> P U %.3f, %.3f, %.3f "
"{%s %d o} L U %.3f, %.3f, %.3f"EOLO
,resnh,numnh,disthb,nhxyz[1],nhxyz[2],nhxyz[3]
,resco,numco,oxyz[1],oxyz[2],oxyz[3]);
putonetextblockline(&mainscratch,temps);
++countxyz; ++pointcnt[typenow];countpoints("hb ",0);
++countxyz; ++pointcnt[typenow];countpoints("hb ",0);
Listhb = TRUE;
/*
printf("%s\n",temps);
*/
}/*H-BOND*/
}/*between different residues*/
}/*Lscan loop over all co's*/
}/*Lmore loop over all nh's*/
}
int main()
{
remove(sr_go_1);
remove(sr_go_2);
remove(kl_stop_1);
remove(kl_stop_2);
int ready1,ready2;
//new_game
new_game();
countpoints();
//in file
file_in();
fkl1= fopen(kl_1,"w"); fclose(fkl1);
fkl2= fopen(kl_2,"w"); fclose(fkl1);
if((fstop1 = fopen(kl_stop_1,"w"))==0){ printf("\nstopfile(1) error"); Sleep(3000);exit(1);}
else fclose(fstop1);
if((fstop2 = fopen(kl_stop_2,"w"))==0){ printf("\nstopfile(2) error"); Sleep(3000);exit(1);}
else fclose(fstop2);
while(1)
{ printf("1");
remove(sr_go_1); remove(sr_go_2);
while((fstop1 = fopen(kl_stop_1,"w"))==0) printf("\nTry open kl_stop_1");
while((fstop2 = fopen(kl_stop_2,"w"))== 0) printf("\nTry open kl_stop_2") ;
fclose(fstop1);
fclose(fstop2);
ready1= 0; ready2= 0;
while(ready1*ready2 == 0)
{
//printf("2");
Sleep(500);
if(ready1 == 0)
{
srgo1 = fopen(sr_go_1,"r");
if(srgo1!= 0)
{
check_file(1);
ready1 = 1;
printf("\nready 1");
fclose(srgo1);
if(remove(sr_go_1) !=0) printf("\ncant del sr_go_1");
}
}
if(ready2 == 0)
{
srgo2 = fopen(sr_go_2,"r");
if(srgo2!=0)
{
check_file(2);
ready2 = 1;
printf("\nready 2");
fclose(srgo2);
if(remove(sr_go_2) !=0) printf("\ncant del sr_go_2");
}
}
}
//countwar
WarCount();
countmaps();
if(countpoints()== 1); // конец игры
file_in();
}
}
