.. _file_commands_command_system.h: File command_system.h ===================== |exhale_lsh| :ref:`Parent directory ` (``commands``) .. |exhale_lsh| unicode:: U+021B0 .. UPWARDS ARROW WITH TIP LEFTWARDS Command parsing and execution system for :ref:`namespace_ComChemKit`. Definition (``commands/command_system.h``) ------------------------------------------ Detailed Description -------------------- Defines core command types for the Gaussian Extractor tool. Le Nhan Pham 2025 This header defines the command system architecture for the :ref:`namespace_ComChemKit` application. It provides a unified interface for parsing command-line arguments, managing command contexts, and dispatching to appropriate command handlers. Architecture The command system consists of three main components: - CommandType enumeration defining available commands - :ref:`exhale_struct_structCommandContext` structure holding parsed parameters and state - :ref:`exhale_class_classCommandParser` class for argument parsing and validation Commands - extract: Process Gaussian log files and extract thermodynamic data - check-done: Identify and organize completed calculations - check-errors: Identify and organize failed calculations - check-pcm: Identify PCM convergence failures - check-all: Run comprehensive job status checks - high-kj: Calculate high-level energies with output in kJ/mol units - high-au: Calculate high-level energies with detailed output in atomic units Integration The command system integrates with: - Configuration management for default values - Job scheduler detection for resource allocation - Multi-threading and resource management systems Includes -------- - ``job_management/job_scheduler.h`` (:ref:`file_job_management_job_scheduler.h`) - ``string`` - ``unordered_map`` - ``vector`` Included By ----------- - :ref:`file_commands_checker_command.h` - :ref:`file_commands_high_level_command.h` - :ref:`file_commands_icommand.h` - :ref:`file_thermo_thermo.h` - :ref:`file_ui_help_utils.h` Classes ------- - :ref:`exhale_struct_structCommandContext` - :ref:`exhale_class_classCommandParser` Enums ----- - :ref:`exhale_enum_command__system_8h_1a21e038f5b8958e203d28bc4f18472352`