static CharInfoRec *
CIDGetCharMetrics(FontPtr pFont, FontInfo *fi, unsigned int charcode, double sxmult)
{
CharInfoPtr cp;
Metrics *p, node;
unsigned int cidcode;
cidcode = node.code = getCID(pFont, charcode);
if ((cidcode < fi->nChars) && (cidcode == fi->metrics[cidcode].code))
p = &fi->metrics[cidcode];
else
p = (Metrics *)bsearch(&node, fi->metrics, fi->nChars, sizeof(Metrics), node_compare);
if (!p)
p = &fi->metrics[0];
if (!(cp = (CharInfoRec *)Xalloc(sizeof(CharInfoRec))))
return NULL;
bzero(cp, sizeof(CharInfoRec));
/* indicate that character bitmap is not defined */
cp->bits = (char *)CID_BITMAP_UNDEFINED;
/* get metric data for this CID code from the CID AFM file */
cp->metrics.leftSideBearing =
floor(p->charBBox.llx / sxmult + 0.5);
cp->metrics.rightSideBearing =
floor(p->charBBox.urx / sxmult + 0.5);
cp->metrics.characterWidth = floor(p->wx / sxmult + 0.5);
cp->metrics.ascent = floor(p->charBBox.ury / sxmult + 0.5);
cp->metrics.descent = -floor(p->charBBox.lly / sxmult + 0.5);
cp->metrics.attributes = p->wx;
return cp;
}
unsigned long AqueousNaClGenerator::readPhaseSpace(ParticleContainer* particleContainer,
std::list<ChemicalPotential>* lmu, Domain* domain, DomainDecompBase* domainDecomp) {
Timer inputTimer;
inputTimer.start();
_logger->info() << "Reading phase space file (AqueousNaClGenerator)." << endl;
int numMoleculesPerDimension = round(pow((double) _numMolecules, 1./3.));
int numIons = round(0.01812415 * (double) _numMolecules);
_logger->info() << "Generating " << numIons << " of Na+ and Cl-" << endl;
Ion* ions = new Ion[2 * numIons];
for (int i = 0; i < numIons; i++) {
ions[i].cid = 1;
do {
for (int j = 0; j < 3; j++) {
ions[i].position[j] = (double) rand() / ((double) RAND_MAX) * (numMoleculesPerDimension-1);
}
std::cout << "Testing " << ions[i].position[0] << "," << ions[i].position[1] << "," << ions[i].position[2] << endl;
} while (isNearIon(ions, i));
std::cout << "Generate Na+ at " << ions[i].position[0] << "," << ions[i].position[1] << "," << ions[i].position[2] << ";" << endl;
}
for (int i = numIons; i < 2*numIons; i++) {
ions[i].cid = 2;
do {
for (int j = 0; j < 3; j++) {
ions[i].position[j] = (double) rand() / ((double) RAND_MAX) * (numMoleculesPerDimension-1);
}
std::cout << "Testing " << ions[i].position[0] << "," << ions[i].position[1] << "," << ions[i].position[2] << endl;
} while (isNearIon(ions, i));
std::cout << "Generate Na+ at " << ions[i].position[0] << "," << ions[i].position[1] << "," << ions[i].position[2] << ";" << endl;
}
unsigned long int id = 1;
double spacing = _simBoxLength / numMoleculesPerDimension;
_logger->info() << "SimBoxLength=" << _simBoxLength << " spacing=" << spacing << endl;
double origin = spacing / 2.; // origin of the first DrawableMolecule
// only for console output
double percentage = 1.0 / numMoleculesPerDimension * 100.0;
int percentageRead = 0;
for (int i = 0; i < numMoleculesPerDimension; i++) {
for (int j = 0; j < numMoleculesPerDimension; j++) {
for (int k = 0; k < numMoleculesPerDimension; k++) {
double x = origin + i * spacing;
double y = origin + j * spacing;
double z = origin + k * spacing;
int cid = getCID(ions, 2 * numIons, i, j, k);
if (domainDecomp->procOwnsPos(x,y,z, domain)) {
addMolecule(x, y, z, id, cid, particleContainer);
}
// increment id in any case, because this particle will probably
// be added by some other process
id++;
}
}
percentageRead = i * percentage;
_logger->info() << "Finished reading molecules: " << (percentageRead) << "%\r" << flush;
}
delete[] ions;
removeMomentum(particleContainer, _components);
domain->evaluateRho(particleContainer->getNumberOfParticles(), domainDecomp);
_logger->info() << "Calculated Rho=" << domain->getglobalRho() << endl;
inputTimer.stop();
_logger->info() << "Initial IO took: " << inputTimer.get_etime() << " sec" << endl;
return id;
}
