readcon-core 0.22.0

An oxidized single and multiple CON file reader and writer with FFI bindings for ergonomic C/C++ usage. Implements CON spec v3.
Documentation 
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// Build a v3.1 frame with velocities, set the natural time unit, write
// it with ConFrameWriter::round_trip, and read the minor and the unit
// bytes back.
#include "readcon-core.hpp"

#include <filesystem>
#include <iostream>
#include <string>

namespace {

int failures = 0;

void check(bool ok, const std::string &what) {
    if (!ok) {
        std::cerr << "FAIL: " << what << "\n";
        ++failures;
    }
}

} // namespace

int main(int argc, char *argv[]) {
    try {
        const std::filesystem::path out =
            argc > 1 ? std::filesystem::path(argv[1])
                     : std::filesystem::temp_directory_path() /
                           "readcon_cpp_v31_units.con";

        readcon::ConFrameBuilder builder({10.0, 10.0, 10.0}, {90.0, 90.0, 90.0});
        builder.add_atom("H", 0.0, 0.0, 0.0, false, 0, 1.008);
        builder.with_velocity({1.0, 0.0, 0.0});
        builder.set_units(
            R"({"length":"angstrom","energy":"eV","mass":"amu","time":"( amu * angstrom ^ 2 / eV ) ^ 0.5"})");
        auto frame = builder.build();
        {
            std::vector<readcon::ConFrame> frames;
            frames.push_back(std::move(frame));
            auto writer = readcon::ConFrameWriter::round_trip(out);
            writer.extend(frames);
        }

        auto parsed = readcon::read_first_frame(out);
        const std::string json = parsed.metadata_json();
        const std::string pinned = "(amu*angstrom^2/eV)^0.5";
        const std::string spaced = "(amu * angstrom^2 / eV) ^0.5";
        check(json.find("\"con_spec_minor\":1") != std::string::npos,
              "con_spec_minor 1 in " + json);
        check(json.find(pinned) != std::string::npos,
              "pinned unit in " + json);
        check(json.find(spaced) == std::string::npos,
              "spaced unit absent in " + json);

        if (argc <= 1) {
            std::filesystem::remove(out);
        }
    } catch (const std::exception &ex) {
        std::cerr << "exception: " << ex.what() << "\n";
        return 1;
    }
    if (failures != 0) {
        std::cerr << failures << " v3.1 unit check(s) failed\n";
        return 1;
    }
    return 0;
}