DenseGrid3D<float> get_rasterized(const Gaussian3Ds &gmm, const Floats &weights, double cell_width, const BoundingBox3D &bb) { DenseGrid3D<float> ret(cell_width, bb, 0); for (unsigned int ng = 0; ng < gmm.size(); ng++) { IMP_Eigen::Matrix3d covar = get_covariance(gmm[ng]); // suppress warning IMP_Eigen::Matrix3d inverse = IMP_Eigen::Matrix3d::Zero(3, 3); double determinant; bool invertible; covar.computeInverseAndDetWithCheck(inverse, determinant, invertible); double pre = 1.0 / pow(2 * algebra::PI, 2.0 / 3.0) / std::sqrt(determinant); if (!invertible || determinant < 0) { std::cout << "\n\n\n->>>>not proper matrix!!\n\n\n" << std::endl; } IMP_Eigen::Vector3d center(gmm[ng].get_center().get_data()); IMP_INTERNAL_CHECK(invertible, "matrix wasn't invertible! uh oh!"); IMP_FOREACH(const DenseGrid3D<float>::Index & i, ret.get_all_indexes()) { Vector3D aloc = ret.get_center(i); IMP_Eigen::Vector3d loc(aloc[0], aloc[1], aloc[2]); IMP_Eigen::Vector3d r = loc - center; double d = r.transpose() * (inverse * r); double score = pre * weights[ng] * std::exp(-0.5 * (d)); if (score > 1e10) { score = 100; } if (score > 0) { ret[i] += score; } } } return ret; }
DensityGrid get_rasterized_fast(const Gaussian3Ds &gmm, const Floats &weights, double cell_width, const BoundingBox3D &bb, double factor) { DensityGrid ret(cell_width, bb, 0); for (unsigned int ng = 0; ng < gmm.size(); ng++) { Eigen::Matrix3d covar = get_covariance(gmm[ng]); Eigen::Matrix3d inverse = Eigen::Matrix3d::Zero(3, 3); double determinant; bool invertible; covar.computeInverseAndDetWithCheck(inverse, determinant, invertible); IMP_INTERNAL_CHECK((invertible && determinant > 0), "Tried to invert Gaussian, but it's not proper matrix"); double pre(get_gaussian_eval_prefactor(determinant)); Eigen::Vector3d evals = covar.eigenvalues().real(); double maxeval = sqrt(evals.maxCoeff()); double cutoff = factor * maxeval; double cutoff2 = cutoff * cutoff; Vector3D c = gmm[ng].get_center(); Vector3D lower = c - Vector3D(cutoff, cutoff, cutoff); Vector3D upper = c + Vector3D(cutoff, cutoff, cutoff); GridIndex3D lowerindex = ret.get_nearest_index(lower); GridIndex3D upperindex = ret.get_nearest_index(upper); Eigen::Vector3d center(c.get_data()); IMP_INTERNAL_CHECK(invertible, "matrix wasn't invertible! uh oh!"); IMP_GRID3D_FOREACH_SMALLER_EXTENDED_INDEX_RANGE(ret, upperindex, lowerindex, upperindex, { GridIndex3D i(voxel_index[0], voxel_index[1], voxel_index[2]); Eigen::Vector3d r(get_vec_from_center(i, ret, center)); if (r.squaredNorm() < cutoff2) { update_value(&ret, i, r, inverse, pre, weights[ng]); } }) } return ret; }
DensityGrid get_rasterized(const Gaussian3Ds &gmm, const Floats &weights, double cell_width, const BoundingBox3D &bb) { DensityGrid ret(cell_width, bb, 0); for (unsigned int ng = 0; ng < gmm.size(); ng++) { Eigen::Matrix3d covar = get_covariance(gmm[ng]); Eigen::Matrix3d inverse = Eigen::Matrix3d::Zero(3, 3); double determinant; bool invertible; covar.computeInverseAndDetWithCheck(inverse, determinant, invertible); IMP_INTERNAL_CHECK((invertible && determinant > 0), "Tried to invert Gaussian, but it's not proper matrix"); double pre(get_gaussian_eval_prefactor(determinant)); Eigen::Vector3d center(gmm[ng].get_center().get_data()); IMP_INTERNAL_CHECK(invertible, "matrix wasn't invertible! uh oh!"); IMP_FOREACH(const DensityGrid::Index & i, ret.get_all_indexes()) { Eigen::Vector3d r(get_vec_from_center(i, ret, center)); update_value(&ret, i, r, inverse, pre, weights[ng]); } } return ret; }