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- foldedOrAliasedPosition(rawShift, shiftRange, signChangeFlag, isFolded)
- determine folded positions of shiftAssignments for
the diagonal check in creating explicit inverse exceptions
- match4d(pot, unfoldedSign, fromProtonTol, fromProtonRange, toProtonTol, toProtonRange, fromHeavyTol=None, fromHeavyRange=[], toHeavyTol=None, toHeavyRange=[], peakList=[], saList=[], minSALikelihood=-1, verboseOutsideSpectrum=False, useIndividualTols=False, fromProtonSignChanges=False, fromHeavySignChanges=False, toProtonSignChanges=False, toHeavySignChanges=False, foldedAlongFromProton=False, foldedAlongFromHeavy=False, foldedAlongToProton=False, foldedAlongToHeavy=False, ignoreSign=False, aveExp=None)
- Dimensionality is determined by which heavy atom spectral ranges are
specified.
- matchOnePeak(peak, pot, unfoldedSign, fromProtonTol, fromProtonRange, toProtonTol, toProtonRange, fromHeavyTol, fromHeavyRange, toHeavyTol, toHeavyRange, useIndividualTols, fromProtonSignChanges, fromHeavySignChanges, toProtonSignChanges, toHeavySignChanges, foldedAlongFromProton, foldedAlongFromHeavy, foldedAlongToProton, foldedAlongToHeavy, ignoreSign, fromSAs, toSAs, expectFromHeavy, expectToHeavy)
- Process a single peak to find matching shift assignments.
Return a list identifying peaks outside of the spectrum.
- peakOutsideSpectrum(peakPosn, shiftRange)
- sanity check that each peak's position is within the range
specified by the top and bottom
- recordUnfoldedPositions(pot=None, saList=None, fromProtonRange=(0, 1), fromHeavyRange=(0, 1), toProtonRange=[], toHeavyRange=[], fromProtonSignChanges=0, fromHeavySignChanges=0, toProtonSignChanges=0, toHeavySignChanges=0, foldedAlongFromProton=0, foldedAlongFromHeavy=0, foldedAlongToProton=0, foldedAlongToHeavy=0)
- unfoldPeakPosnToMatch(peakPosn, targetPosn, isFolded, shiftRange, signChangesUponFolding)
- Given a raw peak position, a raw shift assignment, and the range
of the spectrum (all in PPM),
a folded/aliased flag, and a sign changes flag,
Return the un-folded/aliased peak positions closest to the shiftAssignment and their expected signs
as [unfoldedPeakPos, expectedSign] pairs
- unfoldedPeakPosnMatches(unfoldedPeakPosn, targetPosn, tolerance)
- Given an unfolded peak position from unfoldPeakPosnToMatch, a raw
shiftAssignment, and a tolerance (all in PPM), return whether the
unfolded position is within tolerance of the shiftAssignment.
Note that this assumes that tolerance < spectralWidth
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