src/boinc/boinc_wrapper.cpp

/**

 * @file boinc_wrapper.cpp

 * @brief Implementation of BOINC integration wrapper

 * 

 * @authors OpenPeer AI, Riemann Computing Inc., Bleunomics, Andrew Magdy Kamal

 */

#include "boinc_wrapper.h"
#include <iostream>
#include <fstream>
#include <sstream>
#include <chrono>
#include <ctime>
#include <random>
#include <iomanip>

namespace docking_at_home {
namespace boinc {

// BOINCWrapper Implementation

BOINCWrapper::BOINCWrapper() 
    : is_initialized_(false), app_name_("DockingAtHOME"), worker_id_("") {
}

BOINCWrapper::~BOINCWrapper() {
    if (is_initialized_) {
        finalize();
    }
}

bool BOINCWrapper::initialize() {
    int retval = boinc_init();
    if (retval) {
        std::cerr << "BOINC initialization failed: " << boincerror(retval) << std::endl;
        return false;
    }

    // Generate unique worker ID
    std::random_device rd;
    std::mt19937 gen(rd());
    std::uniform_int_distribution<> dis(100000, 999999);
    worker_id_ = "WORKER_" + std::to_string(dis(gen));

    is_initialized_ = true;
    std::cout << "BOINC initialized successfully. Worker ID: " << worker_id_ << std::endl;
    
    return true;
}

bool BOINCWrapper::register_application(const std::string& app_name, const std::string& version) {
    if (!is_initialized_) {
        std::cerr << "BOINC not initialized" << std::endl;
        return false;
    }

    app_name_ = app_name;
    std::cout << "Registered application: " << app_name << " v" << version << std::endl;
    
    return true;
}

std::string BOINCWrapper::submit_task(const DockingTask& task) {
    if (!is_initialized_) {
        std::cerr << "BOINC not initialized" << std::endl;
        return "";
    }

    if (!validate_task(task)) {
        std::cerr << "Invalid task" << std::endl;
        return "";
    }

    std::string task_id = generate_task_id();
    
    // Upload input files
    if (!upload_input_files(task)) {
        std::cerr << "Failed to upload input files" << std::endl;
        return "";
    }

    std::cout << "Task submitted successfully: " << task_id << std::endl;
    
    return task_id;
}

bool BOINCWrapper::process_task(const DockingTask& task, DockingResult& result) {
    if (!is_initialized_) {
        std::cerr << "BOINC not initialized" << std::endl;
        return false;
    }

    auto start_time = std::chrono::high_resolution_clock::now();

    std::cout << "Processing task: " << task.task_id << std::endl;
    std::cout << "Ligand: " << task.ligand_file << std::endl;
    std::cout << "Receptor: " << task.receptor_file << std::endl;
    std::cout << "GPU enabled: " << (task.use_gpu ? "Yes" : "No") << std::endl;

    // Initialize result
    result.task_id = task.task_id;
    result.worker_id = worker_id_;
    result.successful_runs = 0;

    // Simulate docking process (actual AutoDock integration would go here)
    for (int i = 0; i < task.num_runs; ++i) {
        // Update progress
        double progress = static_cast<double>(i) / task.num_runs;
        update_progress(progress);

        // Checkpoint every 10 runs
        if (i > 0 && i % 10 == 0) {
            std::string checkpoint_file = task.output_dir + "/checkpoint_" + std::to_string(i);
            create_checkpoint(checkpoint_file);
        }

        // Simulate computation
        boinc_sleep(0.1);
        
        result.successful_runs++;
    }

    // Calculate computation time
    auto end_time = std::chrono::high_resolution_clock::now();
    std::chrono::duration<double> elapsed = end_time - start_time;
    result.computation_time = elapsed.count();

    // Finalize progress
    update_progress(1.0);
    report_cpu_time(result.computation_time);

    std::cout << "Task completed: " << task.task_id << std::endl;
    std::cout << "Computation time: " << result.computation_time << " seconds" << std::endl;

    return true;
}

double BOINCWrapper::get_task_progress(const std::string& task_id) {
    // Query BOINC for task progress
    // This would interface with BOINC database or API
    return 0.0;
}

bool BOINCWrapper::get_task_results(const std::string& task_id, DockingResult& result) {
    if (!is_initialized_) {
        return false;
    }

    // Download and parse result files
    return download_output_files(task_id);
}

void BOINCWrapper::update_progress(double fraction_done) {
    boinc_fraction_done(fraction_done);
}

void BOINCWrapper::report_cpu_time(double cpu_time) {
    boinc_report_app_status(cpu_time, 0, 0);
}

bool BOINCWrapper::create_checkpoint(const std::string& checkpoint_file) {
    std::ofstream ckpt(checkpoint_file, std::ios::binary);
    if (!ckpt.is_open()) {
        return false;
    }

    // Write checkpoint data
    // In a real implementation, this would save the current state
    ckpt << "CHECKPOINT_V1" << std::endl;
    ckpt << worker_id_ << std::endl;
    
    ckpt.close();
    
    boinc_checkpoint_completed();
    
    return true;
}

bool BOINCWrapper::restore_checkpoint(const std::string& checkpoint_file) {
    std::ifstream ckpt(checkpoint_file, std::ios::binary);
    if (!ckpt.is_open()) {
        return false;
    }

    // Read and restore checkpoint data
    std::string version, worker;
    std::getline(ckpt, version);
    std::getline(ckpt, worker);
    
    ckpt.close();
    
    return true;
}

void BOINCWrapper::finalize() {
    if (is_initialized_) {
        boinc_finish(0);
        is_initialized_ = false;
    }
}

bool BOINCWrapper::validate_task(const DockingTask& task) {
    if (task.ligand_file.empty() || task.receptor_file.empty()) {
        return false;
    }
    if (task.num_runs <= 0 || task.num_evals <= 0) {
        return false;
    }
    return true;
}

std::string BOINCWrapper::generate_task_id() {
    auto now = std::chrono::system_clock::now();
    auto now_time_t = std::chrono::system_clock::to_time_t(now);
    auto now_ms = std::chrono::duration_cast<std::chrono::milliseconds>(
        now.time_since_epoch()) % 1000;
    
    std::stringstream ss;
    ss << "TASK_" 
       << std::put_time(std::localtime(&now_time_t), "%Y%m%d_%H%M%S")
       << "_" << now_ms.count();
    
    return ss.str();
}

bool BOINCWrapper::upload_input_files(const DockingTask& task) {
    // Use BOINC file transfer API
    // In production, this would handle actual file uploads
    std::cout << "Uploading input files for task: " << task.task_id << std::endl;
    return true;
}

bool BOINCWrapper::download_output_files(const std::string& task_id) {
    // Use BOINC file transfer API
    // In production, this would handle actual file downloads
    std::cout << "Downloading output files for task: " << task_id << std::endl;
    return true;
}

// BOINCServer Implementation

BOINCServer::BOINCServer() 
    : is_initialized_(false), active_work_units_(0), completed_work_units_(0) {
}

BOINCServer::~BOINCServer() {
}

bool BOINCServer::initialize(const std::string& config_file) {
    std::cout << "Initializing BOINC server with config: " << config_file << std::endl;
    
    // Load configuration
    // Parse database connection details
    db_host_ = "localhost";
    db_name_ = "docking_at_home";
    
    is_initialized_ = true;
    
    return true;
}

int BOINCServer::create_work_units(const std::vector<DockingTask>& tasks) {
    if (!is_initialized_) {
        return 0;
    }

    int created = 0;
    for (const auto& task : tasks) {
        // Create BOINC work unit
        // This would use BOINC's work unit creation API
        std::cout << "Creating work unit for task: " << task.task_id << std::endl;
        created++;
        active_work_units_++;
    }

    return created;
}

bool BOINCServer::process_result(const std::string& result_file) {
    if (!is_initialized_) {
        return false;
    }

    std::cout << "Processing result file: " << result_file << std::endl;
    
    // Validate and store results
    active_work_units_--;
    completed_work_units_++;
    
    return true;
}

std::string BOINCServer::get_statistics() {
    std::stringstream ss;
    ss << "{"
       << "\"active_work_units\": " << active_work_units_ << ", "
       << "\"completed_work_units\": " << completed_work_units_
       << "}";
    
    return ss.str();
}

} // namespace boinc
} // namespace docking_at_home