void Margolus::Calculation(cuint& dx, cuint& dy, cuint& dz) {
//#pragma omp parallel for
for (uint ix = dx; ix < GetSizeX() - 1; ix += 2) {
for (uint iy = dy; iy < GetSizeY() - 1; iy += 2) {
for (uint iz = dz; iz < GetSizeZ() - 1; iz += 2) {
if (CheckEmpty(ix, iy, iz)) {
continue;
}
blockSize3D = 1;
CreateRotateNotBlock3D(blocks3D[0], ix, iy, iz);
if (modifierMove && CheckMod(ix, iy, iz)) {
if (CheckActive (ix, iy)) {
if (CheckCanRotate3D(ClockWiceX, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceX, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceX, ix, iy, iz, true, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceX, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(CounterClockWiceX, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceX, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceX, ix, iy, iz, true, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceX, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(ClockWiceY, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceY, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceY, ix, iy, iz, true, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceY, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(CounterClockWiceY, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceY, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceY, ix, iy, iz, true, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceY, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(ClockWiceZ, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceZ, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceZ, ix, iy, iz, true, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceZ, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(CounterClockWiceZ, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceZ, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceZ, ix, iy, iz, true, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceZ, ix, iy, iz);
++blockSize3D;
}
} else {
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceX, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceX, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceY, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceY, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceZ, ix, iy, iz, false, true);
++blockSize3D;
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceZ, ix, iy, iz, false, true);
++blockSize3D;
}
} else {
if (CheckCanRotate3D(ClockWiceX, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceX, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(CounterClockWiceX, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceX, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(ClockWiceY, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceY, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(CounterClockWiceY, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceY, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(ClockWiceZ, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], ClockWiceZ, ix, iy, iz);
++blockSize3D;
}
if (CheckCanRotate3D(CounterClockWiceZ, ix, iy, iz)) {
CreateRotateBlock3D(blocks3D[blockSize3D], CounterClockWiceZ, ix, iy, iz);
++blockSize3D;
}
}
double Z = 0.0;
// + Energy
for (uint i = 0; i < blockSize3D; ++i) {
double energy = CalculationBlockEnergy(blocks3D[i], ix, iy, iz); //кДж/моль
blocks3D[i].energy = exp(-energy / (R * *T));
Z += blocks3D[i].energy;
}
//normalization
double sumProbability = 0.0;
double rnd = (double)(rand()) / RAND_MAX;
for (uint i = 0; i < blockSize3D; ++i) {
sumProbability += blocks3D[i].energy / Z;
if (rnd <= sumProbability) {
ChangeBlock(blocks3D[i], ix, iy, iz);
break;
}
}
}
}
}
}
int WindowLister( int x,
int y,
int xx,
int yy,
int CharToExitOn,
int *NumItems,
int NumToStartWith,
int (*CharHandler)(int ch, int Index),
void (*ScreenClearer)( void ),
void (*DisplayLineFunction)(int Index) )
{
register int i;
register int CurrLine = 0;
int PrevLine;
int NumLines = yy - y;
int Top = NumToStartWith;
int OldTop;
int RefreshScreen = 1;
int ch;
union REGS regs, regs2;
int Index;
regs.x.cx = ( (y-1) << 8 ) + x-1;
regs.x.dx = ( (yy-1) << 8 ) + xx-1;
regs.x.ax = 0;
regs.h.bh = A_NORMAL;
regs.h.ah = 0x06;
regs.x.ax = 1;
for (;;) {
if ( RefreshScreen ) {
ScreenClearer();
ChangeBlock( x, y, xx, yy, A_NORMAL );
RefreshScreen = 0;
PrevLine = 500;
OldTop = -500;
for (i=0; i<=NumLines; ++i) {
gotoxy( x, i+y );
if ( i+Top <= *NumItems )
DisplayLineFunction( i+Top );
}
}
Index = CurrLine + Top;
if ( PrevLine != CurrLine || OldTop != Top ) {
SetAttrib( A_REVERSE );
gotoxy( x, y + CurrLine );
DisplayLineFunction( Index );
SetAttrib( A_NORMAL );
}
HideCursor();
PrevLine = CurrLine;
OldTop = Top;
ch = GComm();
if ( ch == CharToExitOn ) return( Index );
switch( ch ) {
case ESC:
return( -1 );
case DOWN:
CurrLine++;
if (CurrLine > NumLines) {
CurrLine = NumLines;
if ( Top < *NumItems - NumLines ) {
Top++;
ChangeBlock( x, y, xx, yy, A_NORMAL );
regs.h.ah = 0x06;
int86( 0x10, ®s, ®s2 );
gotoxy( x, yy );
}
}
break;
case UP:
CurrLine--;
if (CurrLine < 0) {
CurrLine=0;
if ( Top > 0 ) {
Top--;
ChangeBlock( x, yy, xx, yy, A_NORMAL );
regs.h.ah = 7;
int86( 0x10, ®s, ®s2 );
gotoxy( x, y );
}
}
break;
case END:
Top = *NumItems - NumLines;
if ( Top < 0 ) {
Top = 0;
}
CurrLine = NumLines;
if ( CurrLine > *NumItems ) {
CurrLine = *NumItems;
}
RefreshScreen++;
break;
case PGDN:
Top += NumLines;
if (Top > *NumItems - NumLines) {
Top = *NumItems - NumLines;
if ( Top < 0 )
Top = 0;
CurrLine = NumLines;
if ( CurrLine > *NumItems ) {
CurrLine = *NumItems;
}
}
RefreshScreen++;
break;
case PGUP:
Top -= NumLines;
if (Top < 0) {
Top = 0;
CurrLine = 0;
}
RefreshScreen++;
break;
case HOME:
Top = CurrLine = 0;
RefreshScreen++;
break;
default:
gotoxy( x, CurrLine + y );
ReverseText();
DisplayLineFunction( Index );
NormalText();
/*HideCursor();*/
RefreshScreen++;
CurrLine = CharHandler( ch, Index );
RefreshScreen = 1;
if ( CurrLine - Top <= NumLines && CurrLine - Top >= 0 )
CurrLine -= Top;
else {
Top = CurrLine - 1;
CurrLine = 1;
if ( Top < 0 ) {
Top = CurrLine = 0;
}
}
break;
}
if ( Top < 0 ) {
Top = 0;
CurrLine = 0;
}
if ( Top + CurrLine > *NumItems ) {
CurrLine = *NumItems - Top;
}
if ( PrevLine != CurrLine || Top != OldTop ) {
ChangeBlock( x, y, xx, yy, A_NORMAL );
}
if ( RefreshScreen > 1 ) {
Top = CurrLine = 0;
}
}
}