Class Scine::Utils::ExternalQC::ExternalProgram

class ExternalProgram

This class allows for running external programs through SCINE.

This class is used by the ExternalQC calculators.

Public Functions

void setWorkingDirectory(const std::string &directory)

Setter for the working directory.

const std::string &getWorkingDirectory() const

Getter for the working directory.

void createWorkingDirectory()

Create a temporary working directory.

void executeCommand(const std::string &command) const

Execute a command with no input or output file.

void executeCommand(const std::string &command, const std::string &outputFile) const

Execute a command with an output file given as an argument.

void executeCommand(const std::string &command, const std::string &inputFile, const std::string &outputFile) const

Execute a comand with an input and output file given as arguments.

std::string generateFullFilename(const std::string &filename) const

Generate filename by prepending the working directory.