const AbstractVector<T>& BoundedReferenceVector<T>::operator /=(const T& rhs)
{
for (size_t i = getLower(); i <= getUpper(); i++)
{
(*this)[i] /= rhs;
}
return *this;
}
static void scroll( HWND hwnd, int direction, int timeOut ) {
LONG page_size = getEnd( hwnd ) - getStart( hwnd );
if ( page_size <= getGranularity( hwnd ) ) {
page_size = getGranularity( hwnd );
}
if ( page_size <= 0 ) {
page_size = 1;
}
LONG delta = 0;
if ( -1 == direction ) {
delta = -page_size;
if ( getStart( hwnd ) + delta < getLower( hwnd ) ) {
delta = getLower( hwnd ) - getStart( hwnd );
}
} else {
delta = page_size;
if ( getUpper( hwnd ) < getEnd( hwnd ) + delta ) {
delta = getUpper( hwnd ) - getEnd( hwnd );
}
}
int start = adjust( hwnd, getStart( hwnd ) + delta );
int end = adjust( hwnd, getEnd ( hwnd ) + delta );
if ( start != getStart( hwnd ) || end != getEnd( hwnd ) ) {
setStart( hwnd, start );
setEnd ( hwnd, end );
invalidateRect( hwnd );
invalidateCursor();
notifyParent( hwnd );
}
// TODO: discuss SPI_GETKEYBOARDDELAY
if ( 0 < timeOut ) {
SetTimer( hwnd, 1, timeOut, 0 );
}
}
static void notifyParent( HWND hwnd, UINT code = 0 ) { // NM_ code TODO
NMRANGESLIDER nm = { { 0 } };
nm.hdr.hwndFrom = hwnd;
nm.hdr.idFrom = GetWindowID( hwnd );
nm.hdr.code = code;
nm.rsInfo._lower = getLower ( hwnd );
nm.rsInfo._upper = getUpper ( hwnd );
nm.rsInfo._start = getStart ( hwnd );
nm.rsInfo._end = getEnd ( hwnd );
nm.rsInfo._minRange = getMinRange ( hwnd );
nm.rsInfo._granularity = getGranularity( hwnd );
FORWARD_WM_NOTIFY(
GetParent( hwnd ), nm.hdr.idFrom, &nm, SNDMSG );
}
string DesktopIconConfig::getExtension(const string & file)
{
string returnString;
int pos = file.rfind('.', file.size() - 1); //search for '.' from the end
if (pos == string::npos || //no '.' is string
pos == (file.size() - 1) || // '.' is at end of string
pos == file.size() ) // '.' is at beginning of string
{
cout << "Cannot determine file extension of: " << file << endl;
returnString = "?";
}
else //grab all of the string that is after the '.'
returnString = getUpper(file.substr(pos + 1, file.size() - pos));
if(returnString.size() > 3){ //remove all white space
while(returnString.size() > 3){
returnString = returnString.substr(0, returnString.size() - 1);
}
}
return returnString;
}
MyConstantRange binaryOr(const MyConstantRange &Other) const {
if (isEmptySet() || Other.isEmptySet())
return MyConstantRange(getBitWidth(), /*isFullSet=*/false);
if (!isWrappedSet() && !Other.isWrappedSet() && !isFullSet() && !Other.isFullSet()) {
unsigned width1 = ((getUpper() - 1) ^ getLower()).getActiveBits();
unsigned width2 = ((Other.getUpper() - 1) ^ Other.getLower()).getActiveBits();
APInt res1 = getLower().lshr(width1) << width1;
APInt res2 = Other.getLower().lshr(width2) << width2;
APInt res_high1 = getLower();
APInt res_high2 = Other.getLower();
res_high1.setLowBits(width1);
res_high2.setLowBits(width2);
if ((res1 | res2).isNullValue() && (res_high1 | res_high2).isAllOnesValue()) {
return MyConstantRange(getBitWidth(), /*isFullSet=*/true);
}
return MyConstantRange(res1 | res2, (res_high1 | res_high2) + 1);
}
APInt umax = APIntOps::umax(getUnsignedMin(), Other.getUnsignedMin());
if (umax.isNullValue())
return MyConstantRange(getBitWidth(), /*isFullSet=*/true);
return MyConstantRange(std::move(umax), APInt::getNullValue(getBitWidth()));
}
MyConstantRange binaryAnd(const ConstantRange &Other) const {
if (isEmptySet() || Other.isEmptySet())
return MyConstantRange(getBitWidth(), /*isFullSet=*/false);
if (!isWrappedSet() && !Other.isWrappedSet() && !isFullSet() && !Other.isFullSet()) {
unsigned width1 = ((getUpper() - 1) ^ getLower()).logBase2() + 1;
unsigned width2 = ((Other.getUpper() - 1) ^ Other.getLower()).logBase2() + 1;
APInt res1 = getLower().lshr(width1) << width1;
APInt res2 = Other.getLower().lshr(width2) << width2;
APInt res_high1 = getLower();
APInt res_high2 = Other.getLower();
res_high1.setLowBits(width1);
res_high2.setLowBits(width2);
if ((res1 & res2).isNullValue() && (res_high1 & res_high2).isAllOnesValue()) {
return MyConstantRange(getBitWidth(), /*isFullSet=*/true);
}
return MyConstantRange(res1 & res2, (res_high1 & res_high2) + 1);
}
APInt umin = APIntOps::umin(Other.getUnsignedMax(), getUnsignedMax());
if (umin.isAllOnesValue())
return MyConstantRange(getBitWidth(), /*isFullSet=*/true);
return MyConstantRange(APInt::getNullValue(getBitWidth()), std::move(umin) + 1);
}
static void onKey(
HWND hwnd, UINT vk, BOOL fDown, int cRepeat, UINT flags )
{
long start = getStart( hwnd );
long end = getEnd( hwnd );
const BOOL controlKey = GetAsyncKeyState( VK_CONTROL ) < 0;
if ( VK_ESCAPE == vk ) {
if ( htNone != getHTCode( hwnd ) ) {
setHTCode( hwnd, htNone );
const LONG oldStart = getSaveStart( hwnd );
const LONG oldEnd = getSaveEnd ( hwnd );
setStart( hwnd, oldStart );
setEnd ( hwnd, oldEnd );
invalidateRect( hwnd );
//onLButtonUp( hwnd, 0, 0, 0 ); // TODO retain capture anyway?
// TODO notify parent
return; //** FUNCTION EXIT POINT
}
}
const UINT left_key = isVertical( hwnd ) ? VK_UP : VK_LEFT ;
const UINT right_key = isVertical( hwnd ) ? VK_DOWN : VK_RIGHT;
long granularity = getGranularity( hwnd );
if ( granularity <= 0 ) {
granularity = 1;
}
if ( left_key == vk ) {
if ( controlKey ) {
if ( getMinRange( hwnd ) < end - start ) {
end -= granularity;
}
} else if ( getLower( hwnd ) < start ) {
start -= granularity;
end -= granularity;
}
} else if ( right_key == vk ) {
if ( end < getUpper( hwnd ) ) {
end += granularity;
if ( !controlKey ) {
start += granularity;
}
}
} else if ( VK_PRIOR == vk ) {
scroll( hwnd, -1, 0 );
return; //*** FUNCTION EXIT POINT
} else if ( VK_NEXT == vk ) {
scroll( hwnd, 1, 0 );
return; //*** FUNCTION EXIT POINT
} else if ( VK_HOME == vk ) {
const long range = abs( getLower( hwnd ) - start );
start -= range;
end -= range;
} else if ( VK_END == vk ) {
const long range = abs( getUpper( hwnd ) - end );
start += range;
end += range;
}
start = adjust( hwnd, start );
end = adjust( hwnd, end );
if ( start != getStart( hwnd ) || end != getEnd( hwnd ) ) {
setStart( hwnd, start );
setEnd ( hwnd, end );
invalidateRect( hwnd );
invalidateCursor();
notifyParent( hwnd );
}
}
inline LONG getRange( HWND hwnd ) {
return getUpper( hwnd ) - getLower( hwnd );
}
void CommonOptions::setOptions(Table t)
{
table = t;
//font options
if (table.Query("FontName") != "")
fontName = table.Query("FontName");
if (table.Query("FontSize") != "")
fontSize = atoi(table.Query("FontSize").c_str());
if (fontSize>256)
fontSize = 16;
if (table.Query("FontColor") != "")
fontColor = table.Query("FontColor");
//click options
if (table.Query("ClickDelay") != "")
clickDelay = atoi(table.Query("ClickDelay").c_str());
//shadow fonts
if (getUpper(table.Query("Shadow")) == "TRUE")
shadowOn = true;
else if (getUpper(table.Query("Shadow")) == "FALSE")
shadowOn = false;
if (table.Query("ShadowColor") != "")
shadowColor = table.Query("ShadowColor");
if (table.Query("ShadowX") != "")
shadowX = atoi(table.Query("ShadowX").c_str());
if (table.Query("ShadowY") != "")
shadowY = atoi(table.Query("ShadowY").c_str());
//boldness
if (getUpper(table.Query( "Bold" )) == "TRUE")
isBold = true;
else if (getUpper(table.Query( "Bold" )) == "FALSE")
isBold = false;
//snap shadow
if (getUpper(table.Query("SnapShadow")) == "TRUE")
snapShadow = true;
else if (getUpper(table.Query("SnapShadow")) == "FALSE")
snapShadow = false;
if (table.Query("SnapShadowTrans") != "")
snapShadowTrans = atoi(table.Query("SnapShadowTrans").c_str());
//captionOnHover
if (getUpper(table.Query("CaptionOnHover")) == "TRUE")
captionOnHover = true;
else if (getUpper(table.Query("CaptionOnHover")) == "FALSE")
captionOnHover = false;
//captionPlacement
if (getUpper(table.Query("CaptionPlacement")) == "BOTTOM")
captionPlacement = "Bottom";
else if (getUpper(table.Query("CaptionPlacement")) == "TOP")
captionPlacement = "Top";
else if (getUpper(table.Query("CaptionPlacement")) == "LEFT")
captionPlacement = "Left";
else if (getUpper(table.Query("CaptionPlacement")) == "RIGHT")
captionPlacement = "Right";
//fillStyle
if (getUpper(table.Query("FillStyle")) == "FILLINVERT")
fillStyle = "FillInvert";
else if (getUpper(table.Query("FillStyle")) == "FILLHLINE")
fillStyle = "FillHLine";
else if (getUpper(table.Query("FillStyle")) == "FILLVLINE")
fillStyle = "FillVLine";
else if (getUpper(table.Query("FillStyle")) == "None")
fillStyle = "None";
//Cursor
if (getUpper(table.Query("CursorOver")) == "X_CURSOR")
cursorOver = XC_X_cursor;
else if (getUpper(table.Query("CursorOver")) == "ARROW")
cursorOver = XC_arrow;
else if (getUpper(table.Query("CursorOver")) == "BASED_ARROW_DOWN")
cursorOver = XC_based_arrow_down;
else if (getUpper(table.Query("CursorOver")) == "BASED_ARROW_UP")
cursorOver = XC_based_arrow_up;
else if (getUpper(table.Query("CursorOver")) == "BOAT")
cursorOver = XC_boat;
else if (getUpper(table.Query("CursorOver")) == "BOGOSiTY")
cursorOver = XC_bogosity;
else if (getUpper(table.Query("CursorOver")) == "BOTTOM_LEFT_CORNER")
cursorOver = XC_bottom_left_corner;
else if (getUpper(table.Query("CursorOver")) == "BOTTOM_RIGHT_CORNER")
cursorOver = XC_bottom_right_corner;
else if (getUpper(table.Query("CursorOver")) == "BOTTOM_SIDE")
cursorOver = XC_bottom_side;
else if (getUpper(table.Query("CursorOver")) == "BOTTOM_TEE")
cursorOver = XC_bottom_tee;
else if (getUpper(table.Query("CursorOver")) == "BOX_SPIRAL")
cursorOver = XC_box_spiral;
else if (getUpper(table.Query("CursorOver")) == "CENTER_PTR")
cursorOver = XC_center_ptr;
else if (getUpper(table.Query("CursorOver")) == "CIRCLE")
cursorOver = XC_circle;
else if (getUpper(table.Query("CursorOver")) == "CLOCK")
cursorOver = XC_clock;
else if (getUpper(table.Query("CursorOver")) == "COFFE_MUG")
cursorOver = XC_coffee_mug;
else if (getUpper(table.Query("CursorOver")) == "CROSS")
cursorOver = XC_cross;
else if (getUpper(table.Query("CursorOver")) == "CROSS_REVERSE")
cursorOver = XC_cross_reverse;
else if (getUpper(table.Query("CursorOver")) == "CROSSHAIR")
cursorOver = XC_crosshair;
else if (getUpper(table.Query("CursorOver")) == "DIAMOND_CROSS")
cursorOver = XC_diamond_cross;
else if (getUpper(table.Query("CursorOver")) == "DOT")
cursorOver = XC_dot;
else if (getUpper(table.Query("CursorOver")) == "DOTBOX")
cursorOver = XC_dotbox;
else if (getUpper(table.Query("CursorOver")) == "DOUBLE_ARROW")
cursorOver = XC_double_arrow;
else if (getUpper(table.Query("CursorOver")) == "DRAFT_LARGE")
cursorOver = XC_draft_large;
else if (getUpper(table.Query("CursorOver")) == "DRAFT_SMALL")
cursorOver = XC_draft_small;
else if (getUpper(table.Query("CursorOver")) == "DRAPED_BOX")
cursorOver = XC_draped_box;
else if (getUpper(table.Query("CursorOver")) == "EXCHANGE")
cursorOver = XC_exchange;
else if (getUpper(table.Query("CursorOver")) == "FLEUR")
cursorOver = XC_fleur;
else if (getUpper(table.Query("CursorOver")) == "GOBBLER")
cursorOver = XC_gobbler;
else if (getUpper(table.Query("CursorOver")) == "GUMBY")
cursorOver = XC_gumby;
else if (getUpper(table.Query("CursorOver")) == "HAND1")
cursorOver = XC_hand1;
else if (getUpper(table.Query("CursorOver")) == "HAND2")
cursorOver = XC_hand2;
else if (getUpper(table.Query("CursorOver")) == "HEART")
cursorOver = XC_heart;
else if (getUpper(table.Query("CursorOver")) == "ICON")
cursorOver = XC_icon;
else if (getUpper(table.Query("CursorOver")) == "IRON_CROSS")
cursorOver = XC_iron_cross;
else if (getUpper(table.Query("CursorOver")) == "LEFT_PTR")
cursorOver = XC_left_ptr;
else if (getUpper(table.Query("CursorOver")) == "LEFT_PTR")
cursorOver = XC_left_side;
else if (getUpper(table.Query("CursorOver")) == "LEFT_TEE")
cursorOver = XC_left_tee;
else if (getUpper(table.Query("CursorOver")) == "LEFFBUTTON")
cursorOver = XC_leftbutton;
else if (getUpper(table.Query("CursorOver")) == "LL_ANGLE")
cursorOver = XC_ll_angle;
else if (getUpper(table.Query("CursorOver")) == "LR_ANGLE")
cursorOver = XC_lr_angle;
else if (getUpper(table.Query("CursorOver")) == "MAN")
cursorOver = XC_man;
else if (getUpper(table.Query("CursorOver")) == "MIDDLEBUTTON")
cursorOver = XC_middlebutton;
else if (getUpper(table.Query("CursorOver")) == "MOUSE")
cursorOver = XC_mouse;
else if (getUpper(table.Query("CursorOver")) == "PENCIL")
cursorOver = XC_pencil;
else if (getUpper(table.Query("CursorOver")) == "PIRATE")
cursorOver = XC_pirate;
else if (getUpper(table.Query("CursorOver")) == "PLUS")
cursorOver = XC_plus;
else if (getUpper(table.Query("CursorOver")) == "QUESTION_ARROW")
cursorOver = XC_question_arrow;
else if (getUpper(table.Query("CursorOver")) == "RIGHT_PTR")
cursorOver = XC_right_ptr;
else if (getUpper(table.Query("CursorOver")) == "RIGHT_SIDE")
cursorOver = XC_right_side;
else if (getUpper(table.Query("CursorOver")) == "RIGHT_TEE")
cursorOver = XC_right_tee;
else if (getUpper(table.Query("CursorOver")) == "RIGHTBUTTON")
cursorOver = XC_rightbutton;
else if (getUpper(table.Query("CursorOver")) == "RTL_LOGO")
cursorOver = XC_rtl_logo;
else if (getUpper(table.Query("CursorOver")) == "SAILBOAT")
cursorOver = XC_sailboat;
else if (getUpper(table.Query("CursorOver")) == "SB_DOWN_ARROW")
cursorOver = XC_sb_down_arrow;
else if (getUpper(table.Query("CursorOver")) == "SB_H_DOUBLE_ARROW")
cursorOver = XC_sb_h_double_arrow;
else if (getUpper(table.Query("CursorOver")) == "SB_LEFT_ARROW")
cursorOver = XC_sb_left_arrow;
else if (getUpper(table.Query("CursorOver")) == "SB_RIGHT_ARROW")
cursorOver = XC_sb_right_arrow;
else if (getUpper(table.Query("CursorOver")) == "SB_UP_ARROW")
cursorOver = XC_sb_up_arrow;
else if (getUpper(table.Query("CursorOver")) == "SB_V_DOUBLE_ARROW")
cursorOver = XC_sb_v_double_arrow;
else if (getUpper(table.Query("CursorOver")) == "SHUTTLE")
cursorOver = XC_shuttle;
else if (getUpper(table.Query("CursorOver")) == "SIZING")
cursorOver = XC_sizing;
else if (getUpper(table.Query("CursorOver")) == "SPIDER")
cursorOver = XC_spider;
else if (getUpper(table.Query("CursorOver")) == "SPRAYCAN")
cursorOver = XC_spraycan;
else if (getUpper(table.Query("CursorOver")) == "STAR")
cursorOver = XC_star;
else if (getUpper(table.Query("CursorOver")) == "TARGET")
cursorOver = XC_target;
else if (getUpper(table.Query("CursorOver")) == "TCROSS")
cursorOver = XC_tcross;
else if (getUpper(table.Query("CursorOver")) == "TOP_LEFT_ARROW")
cursorOver = XC_top_left_arrow;
else if (getUpper(table.Query("CursorOver")) == "TOP_LEFT_CORNER")
cursorOver = XC_top_left_corner;
else if (getUpper(table.Query("CursorOver")) == "TOP_RIGHT_CORNER")
cursorOver = XC_top_right_corner;
else if (getUpper(table.Query("CursorOver")) == "TOP_SIDE")
cursorOver = XC_top_side;
else if (getUpper(table.Query("CursorOver")) == "TOP_TEE")
cursorOver = XC_top_tee;
else if (getUpper(table.Query("CursorOver")) == "TREK")
cursorOver = XC_trek;
else if (getUpper(table.Query("CursorOver")) == "UL_ANGLE")
cursorOver = XC_ul_angle;
else if (getUpper(table.Query("CursorOver")) == "UMBRELLA")
cursorOver = XC_umbrella;
else if (getUpper(table.Query("CursorOver")) == "UR_ANGLE")
cursorOver = XC_ur_angle;
else if (getUpper(table.Query("CursorOver")) == "WATCH")
cursorOver = XC_watch;
else if (getUpper(table.Query("CursorOver")) == "XTERM")
cursorOver = XC_xterm;
}
void
ForceBoundary::applyBoundary()
{
std::list<Molecule *> mol;
std::list<Molecule *>::iterator mi;
Molecule *m;
double distanceVector[3];
//double cornerA[3];
//double cornerB[3];
double f[3];
f[0] = 0;
/* cornerA[X] = bBoxMin[X];
cornerA[Y] = bBoxMin[Y];
cornerA[Z] = bBoxMin[Z];
cornerB[X] = bBoxMin[X]+_borderSize[X];
cornerB[Y] = bBoxMax[Y];
cornerB[Z] = bBoxMax[Z];
_moleculeContainer->getRegion(cornerA, cornerB,mol);*/
getLower(X, mol);
for (mi = mol.begin(); mi != mol.end(); mi++)
{
m = (*mi);
f[X] = calcFm(m->r(X) - bBoxMin[X]) * fmplus;
f[Y] = 0;
f[Z] = 0;
/* double r =m->r(X)-bBoxMin[X];
if(r<0.5) {
std::cout << m->F(0) << " "<<m->F(1) << " "<<m->F(2) << " X"<< std::endl;
}*/
m->Fadd(f);
/* if(r<0.5) {
std::cout << r << " " <<m->F(0) << " "<<m->F(1) << " "<<m->F(2) << " X2"<< std::endl;
}*/
if (_RBinFB)
{
Molecule dummy(*m);
dummy.move(X, -2 * m->r(X));
double dd = dummy.dist2(*m, distanceVector);
if (dd < 2.0)
{
std::cout << m->F(0) << " " << m->F(1) << " " << m->F(2)
<< " X" << std::endl;
_particlePairsHandler->processPair(*m, dummy,
distanceVector, MOLECULE_HALOMOLECULE, dd, (dd
< _LJCutoffRadiusSquare));
m->calcFM();
std::cout << dd << " " << m->F(0) << " " << m->F(1) << " "
<< m->F(2) << " X2" << std::endl;
}
}
}
mol.clear();
/*cornerA[X] = bBoxMax[X]-_borderSize[X];
cornerB[X] = bBoxMax[X];
_moleculeContainer->getRegion(cornerA, cornerB,mol);*/
getUpper(X, mol);
for (mi = mol.begin(); mi != mol.end(); mi++)
{
m = (*mi);
f[X] = -calcFm(bBoxMax[X] - m->r(X)) * fmplus;
if (_streamOutDir == X)
f[X] *= _fStreamDamping;
if (!_fStream || _streamOutDir != X)
m->Fadd(f);
if (_RBinFB && _streamOutDir != X)
{
Molecule dummy(*m);
dummy.move(X, 2 * (m->r(X) - _domain->getGlobalLength(X)));
double dd = dummy.dist2(*m, distanceVector);
_particlePairsHandler->processPair(*m, dummy, distanceVector,
MOLECULE_HALOMOLECULE, dd, (dd < _LJCutoffRadiusSquare));
//std::cout << dummy.F(0) << " "<<dummy.F(1) << " "<<dummy.F(2) << " -X"<< std::endl;
}
}
mol.clear();
/* cornerA[X] = bBoxMin[X];
cornerB[X] = bBoxMax[X];
cornerB[Y] = bBoxMin[Y]+_borderSize[Y];
_moleculeContainer->getRegion(cornerA, cornerB,mol);*/
getLower(Y, mol);
for (mi = mol.begin(); mi != mol.end(); mi++)
{
m = (*mi);
f[X] = 0;
f[Y] = calcFm(m->r(Y) - bBoxMin[Y]) * fmplus;
m->Fadd(f);
if (_RBinFB)
{
Molecule dummy(*m);
dummy.move(Y, -2 * m->r(Y));
double dd = dummy.dist2(*m, distanceVector);
_particlePairsHandler->processPair(*m, dummy, distanceVector,
MOLECULE_HALOMOLECULE, dd, (dd < _LJCutoffRadiusSquare));
}
}
mol.clear();
/* cornerA[Y] = bBoxMax[Y]-_borderSize[Y];
cornerB[Y] = bBoxMax[Y];
_moleculeContainer->getRegion(cornerA, cornerB,mol);*/
getUpper(Y, mol);
for (mi = mol.begin(); mi != mol.end(); mi++)
{
m = (*mi);
f[Y] = -calcFm(bBoxMax[Y] - m->r(Y)) * fmplus;
if (_streamOutDir == Y)
f[Y] *= _fStreamDamping;
if (!_fStream || _streamOutDir != Y)
m->Fadd(f);
if (_RBinFB && _streamOutDir != Y)
{
Molecule dummy(*m);
dummy.move(Y, 2 * (m->r(Y) - _domain->getGlobalLength(Y)));
double dd = dummy.dist2(*m, distanceVector);
_particlePairsHandler->processPair(*m, dummy, distanceVector,
MOLECULE_HALOMOLECULE, dd, (dd < _LJCutoffRadiusSquare));
// std::cout << dummy.F(0) << " "<<dummy.F(1) << " "<<dummy.F(2) << " -Y"<< std::endl;
}
}
if (_dim == 3)
{
mol.clear();
/*cornerA[Y] = bBoxMin[Y];
cornerB[Y] = bBoxMax[Y];
cornerB[Z] = bBoxMin[Z]+_borderSize[Z];
_moleculeContainer->getRegion(cornerA, cornerB,mol);*/
getLower(Z, mol);
for (mi = mol.begin(); mi != mol.end(); mi++)
{
m = (*mi);
f[Y] = 0;
f[Z] = calcFm(m->r(Z) - bBoxMin[Z]) * fmplus;
m->Fadd(f);
if (_RBinFB)
{
Molecule dummy(*m);
dummy.move(Z, -2 * m->r(Z));
double dd = dummy.dist2(*m, distanceVector);
_particlePairsHandler->processPair(*m, dummy,
distanceVector, MOLECULE_HALOMOLECULE, dd, (dd
< _LJCutoffRadiusSquare));
// std::cout << dummy.F(0) << " "<<dummy.F(1) << " "<<dummy.F(2) << " "<< std::endl;
}
}
mol.clear();
/*cornerA[Z] = bBoxMax[Z]-_borderSize[Z];
cornerB[Z] = bBoxMax[Z];
_moleculeContainer->getRegion(cornerA, cornerB,mol);*/
getUpper(Z, mol);
for (mi = mol.begin(); mi != mol.end(); mi++)
{
m = (*mi);
f[Z] = -calcFm(bBoxMax[Z] - m->r(Z)) * fmplus;
if (_streamOutDir == Z)
f[Z] *= _fStreamDamping;
if (!_fStream || _streamOutDir != Z)
m->Fadd(f);
if (_RBinFB && _streamOutDir != Z)
{
Molecule dummy(*m);
dummy.move(Z, 2 * (m->r(Z) - _domain->getGlobalLength(Z)));
double dd = dummy.dist2(*m, distanceVector);
_particlePairsHandler->processPair(*m, dummy,
distanceVector, MOLECULE_HALOMOLECULE, dd, (dd
< _LJCutoffRadiusSquare));
}
}
}
}
