Main Entry-Point

nmrPype’s entry-point for command-line usage

Command-line Functions

nmrPype.pype.fileInput(df: DataFrame, input: str | bytes | TextIOWrapper | BufferedReader) int

nmrPype’s default file input handler when run in command-line mode

Parameters:
  • data (DataFrame) – DataFrame object to put input data to

  • input (InputStream) –

    • str: reading file name

    • io.TextIOWrapper: read from standard input

    • io.BufferedReader: read from standard input buffer

Returns:

Integer exit code (e.g. 0 success 1 fail)

Return type:

int

nmrPype.pype.fileOutput(data: DataFrame, args: Namespace) int

nmrPype’s default file output handler when run by command-line mode

Parameters:
  • data (DataFrame) – DataFrame object reading from to send out to putput

  • args (argparse.Namespace) –

    Namespace object obtained from command-line args, output and overwrite attributes used

    • args.outputOutputStream
      • str: output file name

      • io.BufferedWriter: write to standard output buffer

    • args.overwrite : bool

Returns:

Integer exit code (e.g. 0 success 1 fail)

Return type:

int

nmrPype.pype.function(data: DataFrame, args: Namespace) int

Handling of the user’s input function within command-line mode. Calls necessary function and passes parameters from the command line.

Parameters:
  • data (DataFrame) – Inputted NMR Data in which the function will process

  • args (argparse.Namespace) –

    Namespace object obtained from command-line args. Used for obtaining function and the required/optional arguments matching the function

    • args.fc : str

Returns:

Integer exit code (e.g. 0 success 1 fail)

Return type:

int

nmrPype.pype.headerModify(data: DataFrame, param: str, value: float) int

Updates the header based on parameters and value. Calls the DataFrame’s internal setParam function to extrapolate access.

Parameters:
  • data (DataFrame) – Target NMR data which will have its header modified

  • param (str) – Header value to modify

  • value (float) – New header value to set in the NMR data

nmrPype.pype.main() int

Starting-point for the command-line mode of NMRPype.

Returns:

Integer exit code (e.g. 0 success 1 fail)

Return type:

int