Index

A

addEnvelope() (diffpy.srreal.pdfcalculator.DebyePDFCalculator method) (diffpy.srreal.pdfcalculator.PDFCalculator method) atom0 (diffpy.srreal.bvparameterstable.BVParam attribute)

atom1 (diffpy.srreal.bvparameterstable.BVParam attribute) AtomRadiiTable (class in diffpy.srreal.atomradiitable) atomradiitable (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) Attributes (class in diffpy.srreal.attributes)

B

B (diffpy.srreal.bvparameterstable.BVParam attribute) baseline (diffpy.srreal.pdfcalculator.PDFCalculator attribute) bisowidth (diffpy.srreal.peakwidthmodel.ConstantPeakWidth attribute) BondCalculator (class in diffpy.srreal.bondcalculator) bondvalence() (diffpy.srreal.bvparameterstable.BVParam method) bondvalenceToDistance() (diffpy.srreal.bvparameterstable.BVParam method)

bvdiff (diffpy.srreal.bvscalculator.BVSCalculator attribute) bvmsdiff (diffpy.srreal.bvscalculator.BVSCalculator attribute) BVParam (class in diffpy.srreal.bvparameterstable) BVParametersTable (class in diffpy.srreal.bvparameterstable) bvparamtable (diffpy.srreal.bvscalculator.BVSCalculator attribute) bvrmsdiff (diffpy.srreal.bvscalculator.BVSCalculator attribute) BVSCalculator (class in diffpy.srreal.bvscalculator)

C

calculate() (diffpy.srreal.peakwidthmodel.PeakWidthModel method) clearEnvelopes() (diffpy.srreal.pdfcalculator.DebyePDFCalculator method) (diffpy.srreal.pdfcalculator.PDFCalculator method) click() (diffpy.srreal.eventticker.EventTicker method) clone() (diffpy.srreal.atomradiitable.AtomRadiiTable method) (diffpy.srreal.atomradiitable.ConstantRadiiTable method) (diffpy.srreal.atomradiitable.CovalentRadiiTable method) (diffpy.srreal.pdfbaseline.PDFBaseline method) (diffpy.srreal.pdfenvelope.PDFEnvelope method) (diffpy.srreal.peakprofile.PeakProfile method) (diffpy.srreal.peakwidthmodel.PeakWidthModel method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method) composition (diffpy.srreal.sfaverage.SFAverage attribute), [1] ConstantPeakWidth (class in diffpy.srreal.peakwidthmodel) ConstantRadiiTable (class in diffpy.srreal.atomradiitable) coordinationByTypes() (diffpy.srreal.overlapcalculator.OverlapCalculator method) coordinations (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) count (diffpy.srreal.sfaverage.SFAverage attribute), [1]

CovalentRadiiTable (class in diffpy.srreal.atomradiitable) create() (diffpy.srreal.atomradiitable.AtomRadiiTable method) (diffpy.srreal.atomradiitable.ConstantRadiiTable method) (diffpy.srreal.atomradiitable.CovalentRadiiTable method) (diffpy.srreal.pdfbaseline.PDFBaseline method) (diffpy.srreal.pdfenvelope.PDFEnvelope method) (diffpy.srreal.peakprofile.PeakProfile method) (diffpy.srreal.peakwidthmodel.PeakWidthModel method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method) createByType() (diffpy.srreal.atomradiitable.AtomRadiiTable static method) (diffpy.srreal.pdfbaseline.PDFBaseline static method) (diffpy.srreal.pdfenvelope.PDFEnvelope static method) (diffpy.srreal.peakprofile.PeakProfile static method) (diffpy.srreal.peakwidthmodel.PeakWidthModel static method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable static method) createParallelCalculator() (in module diffpy.srreal.parallel) createStructureAdapter() (in module diffpy.srreal.structureadapter) CroppedGaussianProfile (class in diffpy.srreal.peakprofile)

D

DebyePDFCalculator (class in diffpy.srreal.pdfcalculator) debyeprecision (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) DebyeWallerPeakWidth (class in diffpy.srreal.peakwidthmodel) delta1 (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) (diffpy.srreal.peakwidthmodel.JeongPeakWidth attribute) delta2 (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) (diffpy.srreal.peakwidthmodel.JeongPeakWidth attribute) diffpy.srreal (module) diffpy.srreal.atomradiitable (module) diffpy.srreal.attributes (module) diffpy.srreal.bondcalculator (module) diffpy.srreal.bvparameterstable (module) diffpy.srreal.bvscalculator (module) diffpy.srreal.eventticker (module)

diffpy.srreal.overlapcalculator (module) diffpy.srreal.pairquantity (module) diffpy.srreal.parallel (module) diffpy.srreal.pdfbaseline (module) diffpy.srreal.pdfcalculator (module) diffpy.srreal.pdfenvelope (module) diffpy.srreal.peakprofile (module) diffpy.srreal.peakwidthmodel (module) diffpy.srreal.scatteringfactortable (module) diffpy.srreal.sfaverage (module) diffpy.srreal.structureadapter (module) diffpy.srreal.version (module) directions (diffpy.srreal.bondcalculator.BondCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) distances (diffpy.srreal.bondcalculator.BondCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute)

E

envelopes (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) EventTicker (class in diffpy.srreal.eventticker)

extendedrmax (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) extendedrmin (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute)

F

f1avg (diffpy.srreal.sfaverage.SFAverage attribute), [1] f1sum (diffpy.srreal.sfaverage.SFAverage attribute), [1] f2avg (diffpy.srreal.sfaverage.SFAverage attribute), [1] f2sum (diffpy.srreal.sfaverage.SFAverage attribute), [1] fftftog() (in module diffpy.srreal.pdfcalculator) fftgtof() (in module diffpy.srreal.pdfcalculator) filterCone() (diffpy.srreal.bondcalculator.BondCalculator method)

filterOff() (diffpy.srreal.bondcalculator.BondCalculator method) flipDiffMean() (diffpy.srreal.overlapcalculator.OverlapCalculator method) flipDiffTotal() (diffpy.srreal.overlapcalculator.OverlapCalculator method) fq (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) fromComposition() (diffpy.srreal.sfaverage.SFAverage class method) fromString() (diffpy.srreal.atomradiitable.AtomRadiiTable method) fromStructure() (diffpy.srreal.sfaverage.SFAverage class method)

G

GaussianProfile (class in diffpy.srreal.peakprofile) getAliasedTypes() (diffpy.srreal.atomradiitable.AtomRadiiTable static method) (diffpy.srreal.pdfbaseline.PDFBaseline static method) (diffpy.srreal.pdfenvelope.PDFEnvelope static method) (diffpy.srreal.peakprofile.PeakProfile static method) (diffpy.srreal.peakwidthmodel.PeakWidthModel static method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable static method) getAll() (diffpy.srreal.bvparameterstable.BVParametersTable method) getAllCustom() (diffpy.srreal.atomradiitable.AtomRadiiTable method) getAtomValence() (diffpy.srreal.bvparameterstable.BVParametersTable method) getCustomSymbols() (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method)

getDefault() (diffpy.srreal.atomradiitable.ConstantRadiiTable method) getEnvelope() (diffpy.srreal.pdfcalculator.DebyePDFCalculator method) (diffpy.srreal.pdfcalculator.PDFCalculator method) getNeighborSites() (diffpy.srreal.overlapcalculator.OverlapCalculator method) getRegisteredTypes() (diffpy.srreal.atomradiitable.AtomRadiiTable static method) (diffpy.srreal.pdfbaseline.PDFBaseline static method) (diffpy.srreal.pdfenvelope.PDFEnvelope static method) (diffpy.srreal.peakprofile.PeakProfile static method) (diffpy.srreal.peakwidthmodel.PeakWidthModel static method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable static method) gradients (diffpy.srreal.overlapcalculator.OverlapCalculator attribute)

I

isOptimumQstep() (diffpy.srreal.pdfcalculator.DebyePDFCalculator method) isRegisteredType() (diffpy.srreal.atomradiitable.AtomRadiiTable static method) (diffpy.srreal.pdfbaseline.PDFBaseline static method) (diffpy.srreal.pdfenvelope.PDFEnvelope static method) (diffpy.srreal.peakprofile.PeakProfile static method) (diffpy.srreal.peakwidthmodel.PeakWidthModel static method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable static method)

J

JeongPeakWidth (class in diffpy.srreal.peakwidthmodel)

L

license LinearBaseline (class in diffpy.srreal.pdfbaseline)

lookup() (diffpy.srreal.atomradiitable.AtomRadiiTable method) (diffpy.srreal.bvparameterstable.BVParametersTable method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method)

M

makePDFBaseline() (in module diffpy.srreal.pdfbaseline) makePDFEnvelope() (in module diffpy.srreal.pdfenvelope) maxextension (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute)

maxWidth() (diffpy.srreal.peakwidthmodel.PeakWidthModel method) meansquareoverlap (diffpy.srreal.overlapcalculator.OverlapCalculator attribute)

N

neighborhoods (diffpy.srreal.overlapcalculator.OverlapCalculator attribute)

none() (diffpy.srreal.bvparameterstable.BVParametersTable static method)

O

OverlapCalculator (class in diffpy.srreal.overlapcalculator)

overlaps (diffpy.srreal.overlapcalculator.OverlapCalculator attribute)

P

PairQuantity (class in diffpy.srreal.pairquantity) pdf (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) PDFBaseline (class in diffpy.srreal.pdfbaseline) PDFCalculator (class in diffpy.srreal.pdfcalculator) PDFEnvelope (class in diffpy.srreal.pdfenvelope)

peakprecision (diffpy.srreal.pdfcalculator.PDFCalculator attribute) (diffpy.srreal.peakprofile.PeakProfile attribute) PeakProfile (class in diffpy.srreal.peakprofile) peakprofile (diffpy.srreal.pdfcalculator.PDFCalculator attribute) PeakWidthModel (class in diffpy.srreal.peakwidthmodel) popEnvelope() (diffpy.srreal.pdfcalculator.DebyePDFCalculator method) (diffpy.srreal.pdfcalculator.PDFCalculator method)

Q

qbroad (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) (diffpy.srreal.peakwidthmodel.JeongPeakWidth attribute) qdamp (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) (diffpy.srreal.pdfenvelope.QResolutionEnvelope attribute) qgrid (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute)

qmax (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) qmin (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) QResolutionEnvelope (class in diffpy.srreal.pdfenvelope) qstep (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute)

R

radiationType() (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method) rdf (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) ref_id (diffpy.srreal.bvparameterstable.BVParam attribute) RegisterStructureAdapter() (in module diffpy.srreal.structureadapter) release notes resetAll() (diffpy.srreal.atomradiitable.AtomRadiiTable method) (diffpy.srreal.bvparameterstable.BVParametersTable method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method) resetAtomValences() (diffpy.srreal.bvparameterstable.BVParametersTable method) resetCustom() (diffpy.srreal.atomradiitable.AtomRadiiTable method) (diffpy.srreal.bvparameterstable.BVParametersTable method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method) rgrid (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute)

rmax (diffpy.srreal.bondcalculator.BondCalculator attribute) (diffpy.srreal.bvscalculator.BVSCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) rmaxused (diffpy.srreal.bvscalculator.BVSCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) rmin (diffpy.srreal.bondcalculator.BondCalculator attribute) (diffpy.srreal.bvscalculator.BVSCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) Ro (diffpy.srreal.bvparameterstable.BVParam attribute) rstep (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute)

S

scale (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) (diffpy.srreal.pdfenvelope.ScaleEnvelope attribute) ScaleEnvelope (class in diffpy.srreal.pdfenvelope) ScatteringFactorTable (class in diffpy.srreal.scatteringfactortable) setAtomValence() (diffpy.srreal.bvparameterstable.BVParametersTable method) setCustom() (diffpy.srreal.atomradiitable.AtomRadiiTable method) (diffpy.srreal.bvparameterstable.BVParametersTable method) setCustomAs() (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method) setDefault() (diffpy.srreal.atomradiitable.ConstantRadiiTable method) setFromCifLine() (diffpy.srreal.bvparameterstable.BVParam method) setOptimumQstep() (diffpy.srreal.pdfcalculator.DebyePDFCalculator method) SFAverage (class in diffpy.srreal.sfaverage) SFTElectron (class in diffpy.srreal.scatteringfactortable) SFTElectronNumber (class in diffpy.srreal.scatteringfactortable)

SFTNeutron (class in diffpy.srreal.scatteringfactortable) SFTXray (class in diffpy.srreal.scatteringfactortable) sites0 (diffpy.srreal.bondcalculator.BondCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) sites1 (diffpy.srreal.bondcalculator.BondCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) sitesquareoverlaps (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) slope (diffpy.srreal.pdfbaseline.LinearBaseline attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute) spdiameter (diffpy.srreal.pdfcalculator.PDFCalculator attribute) (diffpy.srreal.pdfenvelope.SphericalShapeEnvelope attribute) SphericalShapeEnvelope (class in diffpy.srreal.pdfenvelope) stepcut (diffpy.srreal.pdfcalculator.PDFCalculator attribute) (diffpy.srreal.pdfenvelope.StepCutEnvelope attribute) StepCutEnvelope (class in diffpy.srreal.pdfenvelope)

T

ticker() (diffpy.srreal.pairquantity.PairQuantity method) (diffpy.srreal.peakprofile.PeakProfile method) (diffpy.srreal.peakwidthmodel.PeakWidthModel method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method) toString() (diffpy.srreal.atomradiitable.AtomRadiiTable method) totalsquareoverlap (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) type() (diffpy.srreal.atomradiitable.AtomRadiiTable method) (diffpy.srreal.atomradiitable.CovalentRadiiTable method) (diffpy.srreal.pdfbaseline.PDFBaseline method) (diffpy.srreal.pdfenvelope.PDFEnvelope method) (diffpy.srreal.peakprofile.PeakProfile method) (diffpy.srreal.peakwidthmodel.PeakWidthModel method) (diffpy.srreal.scatteringfactortable.ScatteringFactorTable method)

types0 (diffpy.srreal.bondcalculator.BondCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute) types1 (diffpy.srreal.bondcalculator.BondCalculator attribute) (diffpy.srreal.overlapcalculator.OverlapCalculator attribute)

U

uisowidth (diffpy.srreal.peakwidthmodel.ConstantPeakWidth attribute) updateFrom() (diffpy.srreal.eventticker.EventTicker method)

usedenvelopetypes (diffpy.srreal.pdfcalculator.DebyePDFCalculator attribute) (diffpy.srreal.pdfcalculator.PDFCalculator attribute)

V

valence0 (diffpy.srreal.bvparameterstable.BVParam attribute) valence1 (diffpy.srreal.bvparameterstable.BVParam attribute)

valenceprecision (diffpy.srreal.bvscalculator.BVSCalculator attribute) valences (diffpy.srreal.bvscalculator.BVSCalculator attribute) value (diffpy.srreal.bvscalculator.BVSCalculator attribute)

W

width (diffpy.srreal.peakwidthmodel.ConstantPeakWidth attribute)

X

xboundhi() (diffpy.srreal.peakprofile.PeakProfile method)

xboundlo() (diffpy.srreal.peakprofile.PeakProfile method)

Z

ZeroBaseline (class in diffpy.srreal.pdfbaseline)