Esempio n. 1
0
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;
}
Esempio n. 2
0
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));
            }
        }
    }
}
Esempio n. 3
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/**
 * 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;
}
Esempio n. 4
0
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);
  }
}
Esempio n. 6
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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);
}