Class ExtractCommand

• Defined in File extract_command.h

Inheritance Relationships

Base Type

• public ICommand (Class ICommand)

Class Documentation

class ExtractCommand : public ICommand

Command for extracting thermodynamic data and energy components from log files.

This command parses extraction-specific arguments and delegates processing to the QCExtractor module to gather properties like SCF energy, ZPE, enthalpy, and free energy.

Public Functions

ExtractCommand()

Constructs an ExtractCommand with default configuration.

virtual std::string get_name() const override

Retrieves the name of the command.

This name corresponds to the keyword used in the CLI to invoke the command.

Returns:

std::string The command name (e.g., “thermo”, “extract”).

virtual std::string get_description() const override

Retrieves a short description of the command.

This description is displayed in the application’s help menu.

Returns:

std::string A brief description of what the command does.

virtual void parse_args(int argc, char *argv[], int &i, CommandContext &context) override

Parses command-specific arguments from the command line.

Parameters:

• argc – The total number of command-line arguments.

• argv – Array of command-line argument strings.

• i – The current index in argv. Passed by reference to allow the command to consume arguments.

• context – The CommandContext used to store application-level options and warnings.

virtual int execute(const CommandContext &context) override

Executes the command.

Parameters:

context – The CommandContext containing shared configuration.

Returns:

int The exit code of the execution (0 for success, non-zero for failure).