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// SPDX-License-Identifier: LGPL-3.0-or-later
// Author: Kristian Lytje
#include <settings/GridSettings.h>
#include <settings/SettingsIORegistry.h>
#include <utility/Exceptions.h>
using namespace ausaxs;
double settings::grid::water_scaling = 0.01;
double settings::grid::cell_width = 1;
double settings::grid::scaling = 0.25;
bool settings::grid::cubic = false;
double settings::grid::min_exv_radius = 2.15;
unsigned int settings::grid::min_bins = 0;
double settings::grid::exv::surface_thickness = 1;
double settings::grid::exv::width = 1;
bool settings::grid::exv::save = false;
settings::grid::exv::ExvType settings::grid::exv::expansion_strategy = settings::grid::exv::ExvType::AtomicOnly;
double settings::grid::detail::min_score = 0.25;
namespace ausaxs::settings::io {
settings::io::SettingSection grid_section("Grid", {
settings::io::create(grid::water_scaling, "water_scaling"),
settings::io::create(grid::cell_width, "width"),
settings::io::create(grid::scaling, "scaling"),
settings::io::create(grid::cubic, "cubic"),
settings::io::create(grid::min_exv_radius, "rvol"),
settings::io::create(grid::exv::width, "exv_width"),
settings::io::create(grid::exv::save, "save_exv"),
settings::io::create(grid::exv::surface_thickness, "surface_thickness"),
settings::io::create(grid::detail::min_score, "detail.min_score"),
});
}
template<> std::string settings::io::detail::SettingRef<Limit3D>::get() const {
return std::to_string(settingref.x.min) + " " + std::to_string(settingref.x.max) + " "
+ std::to_string(settingref.y.min) + " " + std::to_string(settingref.y.max) + " "
+ std::to_string(settingref.z.min) + " " + std::to_string(settingref.z.max);
}
template<> void settings::io::detail::SettingRef<Limit3D>::set(const std::vector<std::string>& val) {
if (val.size() != 6) throw except::io_error("settings::grid::axes: Expected 6 values, got " + std::to_string(val.size()) + ".");
settingref = Limit3D(std::stod(val[0]), std::stod(val[1]), std::stod(val[2]), std::stod(val[3]), std::stod(val[4]), std::stod(val[5]));
}
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