double _ln_gammacElec(int i, unifac_solution *s)
{
double result;
result = log(_phiElec(i, s)/s->xi[i]) + 1 - _phiElec(i, s)/s->xi[i]
+ Z/2*_q(s->m[i]) * (1 - _phi(i, s)/_theta(i, s)
+ log(_phi(i, s)/_theta(i, s)));
return result;
}
void FluidSDF::_sweep(int i0, int i1, int j0, int j1)
{
const int di = i0 < i1 ? 1 : -1;
const int dj = j0 < j1 ? 1 : -1;
for (int i = i0; i != i1; i+= di) {
for (int j = j0; j != j1; j+= dj) {
if (!isFluid(i,j)) {
_solveEikonal(_phi(i - di,j), _phi(i,j - dj), _phi(i,j));
}
}
}
}
/**
* Calculate that natural log of the combinatorial component of the activity coefficient for the ith molecule in the solution.
* \f[
* \ln\gamma_i^c = \ln\frac{\phi_i}{x_i}
* + \frac{z}{2}q_i\ln\frac{\theta_i}{\phi_i} + L_i
* - \frac{\phi_i}{x_i}\sum_{j=1}^n x_j L_j
* \f]
* @param i Molecule ID in the solution.
* @param s Solution
* @returns ln(gamma_i^c)
*/
double _ln_gammac(int i, unifac_solution *s)
{
int j;
double result, sum = 0;
for(j=0; j<s->nsolutes; j++)
sum += s->xi[i] * _L(s->m[i]);
result = log(_phi(i, s)/s->xi[i])
+ Z/2*_q(s->m[i])*log(_theta(i, s)/_phi(i, s))
+ _L(s->m[i])
- _phi(i, s)/s->xi[i] * sum;
return result;
}
void FluidSDF::reconstructSurface(Particles::Ptr particles, float R, float r)
{
LOG_OUTPUT("Reconstructing fluid surface.");
assert(R && r);
_sum.reset();
_pAvg.reset();
int nx = _phi.nx();
int ny = _phi.ny();
for (int p = 0; p < particles->numParticles(); ++p) {
const int ci = particles->pos(p).x / _phi.dx();
const int cj = particles->pos(p).y / _phi.dx();
assert(ci < _phi.nx() && cj < _phi.ny());
for (int i = std::max(0,ci-2); i < std::min(nx,ci+2); ++i) {
for (int j = std::max(0,cj-2); j < std::min(ny,cj+2); ++j) {
const Vec2f xd = particles->pos(p) - _phi.pos(i,j);
const float k = _kernel(xd.length() / R);
_sum(i,j) += k;
_pAvg(i,j) += k * particles->pos(p);
}
}
}
for (int i = 0; i < _phi.nx(); ++i) {
for (int j = 0; j < _phi.ny(); ++j) {
if (_sum(i,j) > 0) {
_pAvg(i,j) *= (1.0f / _sum(i,j));
const Vec2f xd = _phi.pos(i,j) - _pAvg(i,j);
_phi(i,j) = xd.length() - r;
} else {
_phi(i,j) = _phi.dx() * 1e15;
}
}
}
}
void
IsotropicSphereModel::doGenerate(Catalog& catalog)
{
if (catalog.getType() != _catType)
{
std::stringstream ss;
ss << "Generate failed. Model '" << ModelMapper::instance()->getKey(getType())
<< "'. Provided catalog type doesn't match requested one.";
Exception exc(type::EXCEPTION_WARNING + type::EXCEPTION_MOD_NO_PREFIX,
ss.str(), PRETTY_FUNCTION);
throw exc;
}
for (std::size_t i = 0; i < getNumberOfEntries(); ++i)
{
CatalogEntryGrbcat* entry = createEntry();
entry->getCoordFlag() = 0.0;
entry->getCoodinates().getX0() = _time(getGenerator());
entry->getCoodinates().getX1() = 1.0;
entry->getCoodinates().getX2() = _phi(getGenerator());
entry->getCoodinates().getX3() = _theta(getGenerator());
catalog.getEntries().push_back(entry);
}
}
void WaterPorous2D::Mass()
{
real_t c=OFELI_THIRD*_area*_cw*_density;
for (size_t i=1; i<=3; i++)
eA1(i,i) = c*_phi(i);
}
