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Pydoc: module pasd.formatPipp

pasd.formatPipp

index

Functions

pippPeaks(filename, pasdPot, fromProtonColumnName, toProtonColumnName, fromHeavyColumnName=None, toHeavyColumnName=None, intensityColumnName='Intensity', idColumnName='PkID', verbose=True, name=None, tclOutput=False, simulation=None): Read Pipp format peak list into pasdPot.PASDPot

arguments:

  filename                - name of sparky file
  pasdPot                 - a PASDPot instance
  fromProtonColumnName    - string label for from- Proton
  toProtonColumnName      - string label for to- Proton
  fromHeavyatomColumnName - string label for from- heavyatom
  toHeavyatomColumnName   - string label for to- heavyatom
  intensityColumnName     - string label for the intensity column.
                           ["Intensity"]
  idColumnName            - string label for the column providing an
                           reference label. [PkID]
  name                    - prefix to use for peak names. In PASD,
                            these must be different for each peaklist.
  verbose                 - whether to produce verbose output
  tclOutput               - If True, return a valid TCL list string

pippShifts(filename, verbose=True, tclOutput=False, simulation=None, segmentName=None): Read PIPP format chemical shifts. Not robustly tested.