def predictNOE(peaklist, originNuc, detectedNuc, originResNum, toResNum):
 returnLine = ''
 datamap = _data_map(peaklist.datalabels)
 originAssCol = (datamap[(originNuc + '.L')] + 1)
 originPPMCol = (datamap[(originNuc + '.P')] + 1)
 detectedPPMCol = (datamap[(detectedNuc + '.P')] + 1)
 if ((str(toResNum) in peaklist.residue_dict(detectedNuc)) and (str(originResNum) in peaklist.residue_dict(detectedNuc))):
  detectedList = peaklist.residue_dict(detectedNuc)[str(toResNum)]
  originList = peaklist.residue_dict(detectedNuc)[str(originResNum)]
  returnLine = detectedList[0]
  for line in detectedList:
   aveDetectedPPM = _col_ave(detectedList, detectedPPMCol)
   aveOriginPPM = _col_ave(originList, originPPMCol)
   originAss = originList[0].split()[originAssCol]
  returnLine = xpktools.replace_entry(returnLine, (originAssCol + 1), originAss)
  returnLine = xpktools.replace_entry(returnLine, (originPPMCol + 1), aveOriginPPM)
 return returnLine

def predictNOE ( peaklist , originNuc , detectedNuc , originResNum , toResNum ) : returnLine = '' datamap = _data_map ( peaklist . datalabels ) originAssCol = ( datamap [ ( originNuc + '.L' ) ] + 1 ) originPPMCol = ( datamap [ ( originNuc + '.P' ) ] + 1 ) detectedPPMCol = ( datamap [ ( detectedNuc + '.P' ) ] + 1 ) if ( ( str ( toResNum ) in peaklist . residue_dict ( detectedNuc ) ) and ( str ( originResNum ) in peaklist . residue_dict ( detectedNuc ) ) ) : detectedList = peaklist . residue_dict ( detectedNuc ) [ str ( toResNum ) ] originList = peaklist . residue_dict ( detectedNuc ) [ str ( originResNum ) ] returnLine = detectedList [ 0 ] for line in detectedList : aveDetectedPPM = _col_ave ( detectedList , detectedPPMCol ) aveOriginPPM = _col_ave ( originList , originPPMCol ) originAss = originList [ 0 ] . split ( ) [ originAssCol ] returnLine = xpktools . replace_entry ( returnLine , ( originAssCol + 1 ) , originAss ) returnLine = xpktools . replace_entry ( returnLine , ( originPPMCol + 1 ) , aveOriginPPM ) return returnLine
predict the i->j noe position based on self peak assignments parameters peaklist : xprtools .