IMPMULTIFIT_BEGIN_NAMESPACE void write_connolly_surface(atom::Atoms atoms, base::TextOutput fn, float density, float probe_radius) { algebra::Sphere3Ds spheres; for (unsigned int i = 0; i < atoms.size(); ++i) { spheres.push_back(core::XYZR(atoms[i]).get_sphere()); } algebra::ConnollySurfacePoints sps = algebra::get_connolly_surface(spheres, density, probe_radius); for (unsigned int i = 0; i < sps.size(); ++i) { fn.get_stream() << std::setw(5) << sps[i].get_atom(0) + 1 << std::setw(5) << sps[i].get_atom(1) + 1 << std::setw(5) << sps[i].get_atom(2) + 1 << std::fixed << std::setw(8) << std::setprecision(3) << sps[i].get_surface_point()[0] << std::setw(8) << std::setprecision(3) << sps[i].get_surface_point()[1] << std::setw(8) << std::setprecision(3) << sps[i].get_surface_point()[2] << std::setw(8) << std::setprecision(3) << sps[i].get_area() << std::setw(7) << std::setprecision(3) << sps[i].get_normal()[0] << std::setw(7) << std::setprecision(3) << sps[i].get_normal()[1] << std::setw(7) << std::setprecision(3) << sps[i].get_normal()[2] << " 0.500" << std::endl; } }
IMPALGEBRA_BEGIN_NAMESPACE void write_pts(const Vector3Ds &vs, base::TextOutput out) { for (unsigned int i=0; i< vs.size(); ++i) { out.get_stream() << spaces_io(vs[i]) << "\n"; } }
TextWriter::TextWriter(base::TextOutput fn): Writer(fn.get_name()), out_(fn) { set_was_used(true); }
void write_spheres(const Sphere3Ds &vs, base::TextOutput out) { for (unsigned int i=0; i< vs.size(); ++i) { out.get_stream() << spaces_io(vs[i]) << "\n"; } }