//-----------------------------------------------------------------------------
void KBusyPtr :: loadCursor (const char* cursorName,const char* maskName)
{
int i, ix, iy, numX, numY, x, y;
QBitmap map, mask;
QBitmap cmap(16,16), cmask(16,16);
numCursors = 0;
if (!loadBitmap(map,cursorName)) return;
if (!loadBitmap(mask,maskName)) return;
numX = map.width() >> 4;
numY = map.height() >> 4;
numCursors = numX * numY;
if (bitmapList) delete[] bitmapList;
QSize size(16,16);
bitmapList = new QBitmap[numCursors];//(size);
if (cursorList) delete[] cursorList;
cursorList = new QCursor[numCursors];
for (i=0,iy=0,y=0; iy<numY; iy++, y+=16)
{
for (ix=0,x=0; ix<numX; ix++, x+=16, i++)
{
bitBlt(&cmap, 0, 0, &map, x, y, 16, 16);
bitBlt(&cmask, 0, 0, &mask, x, y, 16, 16);
cursorList[i] = QCursor(cmap, cmask, 8, 8);
}
}
}
/** An atom pair list consists of 2 values for each entry, a beginning
* index and ending index. For molecules and residues this is the first
* and just beyond the last atom; for atoms it is just the atom itself
* twice.
*/
Image::PairType Image::CreatePairList(Topology const& Parm, Mode modeIn,
std::string const& maskExpression)
{
PairType atomPairs;
// Set up mask based on desired imaging mode.
if ( modeIn == BYMOL || modeIn == BYRES ) {
CharMask cmask( maskExpression );
if ( Parm.SetupCharMask( cmask ) ) return atomPairs;
cmask.MaskInfo();
if (cmask.None()) return atomPairs;
// Set up atom range for each entity to be imaged.
if (modeIn == BYMOL) {
atomPairs.reserve( Parm.Nmol()*2 );
for (Topology::mol_iterator mol = Parm.MolStart();
mol != Parm.MolEnd(); ++mol)
CheckRange( atomPairs, cmask, mol->BeginAtom(), mol->EndAtom());
} else { // BYRES
atomPairs.reserve( Parm.Nres()*2 );
for (Topology::res_iterator residue = Parm.ResStart();
residue != Parm.ResEnd(); ++residue)
CheckRange( atomPairs, cmask, residue->FirstAtom(), residue->LastAtom() );
}
} else { // BYATOM
AtomMask imask( maskExpression );
if ( Parm.SetupIntegerMask( imask ) ) return atomPairs;
imask.MaskInfo();
if (imask.None()) return atomPairs;
atomPairs.reserve( Parm.Natom()*2 );
for (AtomMask::const_iterator atom = imask.begin(); atom != imask.end(); ++atom) {
atomPairs.push_back( *atom );
atomPairs.push_back( (*atom)+1 );
}
}
// mprintf("\tNumber of %ss to be imaged is %zu based on mask '%s'\n",
// ModeString[modeIn], atomPairs.size()/2, maskIn.MaskString());
return atomPairs;
}
RectangularBinaryMatrix(const T &raw, unsigned int r, unsigned c)
: _columns(alloc(r, c)), _r(r), _c(c) {
for(unsigned int i = 0; i < _c; ++i)
_columns[i] = raw[i] & cmask();
}
// Randomize the content of the matrix
void randomize(uint64_t (*rng)()) {
for(unsigned int i = 0; i < _c; ++i)
_columns[i] = rng() & cmask();
}
