Class Scine::Utils::ExternalQC::ExternalProgram¶
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class
ExternalProgram
¶ This class allows for running external programs through SCINE.
This class is used by the ExternalQC calculators.
Public Functions
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void
setWorkingDirectory
(const std::string &directory)¶ Setter for the working directory.
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const std::string &
getWorkingDirectory
() const¶ Getter for the working directory.
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void
createWorkingDirectory
()¶ Create a temporary working directory.
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void
executeCommand
(const std::string &command) const¶ Execute a command with no input or output file.
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void
executeCommand
(const std::string &command, const std::string &outputFile) const¶ Execute a command with an output file given as an argument.
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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.
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std::string
generateFullFilename
(const std::string &filename) const¶ Generate filename by prepending the working directory.
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void