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diffpy.Structure 1.3.5 documentation
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Z
A
a (diffpy.Structure.lattice.Lattice attribute)
abcABG() (diffpy.Structure.lattice.Lattice method)
addNewAtom() (diffpy.Structure.structure.Structure method)
alpha (diffpy.Structure.lattice.Lattice attribute)
alphar (diffpy.Structure.lattice.Lattice attribute)
angle() (diffpy.Structure.lattice.Lattice method)
(diffpy.Structure.structure.Structure method)
anisotropy (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
append() (diffpy.Structure.structure.Structure method)
ar (diffpy.Structure.lattice.Lattice attribute)
assignUniqueLabels() (diffpy.Structure.structure.Structure method)
Atom (class in diffpy.Structure.atom)
atomBareSymbol() (in module diffpy.Structure.utils)
atomLines() (diffpy.Structure.Parsers.P_pdb.P_pdb method)
B
b (diffpy.Structure.lattice.Lattice attribute)
B11 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
B12 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
B13 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
B22 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
B23 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
B33 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
beta (diffpy.Structure.lattice.Lattice attribute)
betar (diffpy.Structure.lattice.Lattice attribute)
Bisoequiv (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
br (diffpy.Structure.lattice.Lattice attribute)
BRAtomsStructure (class in diffpy.Structure.bratomsstructure)
BtoU (diffpy.Structure.Parsers.P_cif.P_cif attribute)
C
c (diffpy.Structure.lattice.Lattice attribute)
ca (diffpy.Structure.lattice.Lattice attribute)
car (diffpy.Structure.lattice.Lattice attribute)
cartesian() (diffpy.Structure.lattice.Lattice method)
cb (diffpy.Structure.lattice.Lattice attribute)
cbr (diffpy.Structure.lattice.Lattice attribute)
cg (diffpy.Structure.lattice.Lattice attribute)
cgr (diffpy.Structure.lattice.Lattice attribute)
check_group_name() (diffpy.Structure.spacegroupmod.SpaceGroup method)
cleanUp() (in module diffpy.Structure.applications.anyeye)
cluster_boundary (diffpy.Structure.Parsers.P_xcfg.P_xcfg attribute)
composition (diffpy.Structure.structure.Structure attribute)
convertStructureFile() (in module diffpy.Structure.applications.anyeye)
copy() (diffpy.Structure.structure.Structure method)
cosd() (in module diffpy.Structure.lattice)
cr (diffpy.Structure.lattice.Lattice attribute)
cryst1Lines() (diffpy.Structure.Parsers.P_pdb.P_pdb method)
D
die() (in module diffpy.Structure.applications.anyeye)
diffpy (module)
diffpy.Structure (module)
diffpy.Structure.applications (module)
diffpy.Structure.applications.anyeye (module)
diffpy.Structure.applications.transtru (module)
diffpy.Structure.atom (module)
diffpy.Structure.bratomsstructure (module)
diffpy.Structure.expansion (module)
diffpy.Structure.expansion.makeEllipsoid (module)
diffpy.Structure.expansion.shapeUtils (module)
diffpy.Structure.expansion.supercell_mod (module)
diffpy.Structure.lattice (module)
diffpy.Structure.mmlibspacegroups (module)
diffpy.Structure.Parsers (module)
diffpy.Structure.Parsers.P_auto (module)
diffpy.Structure.Parsers.P_bratoms (module)
diffpy.Structure.Parsers.P_cif (module)
diffpy.Structure.Parsers.P_discus (module)
diffpy.Structure.Parsers.P_pdb (module)
diffpy.Structure.Parsers.P_pdffit (module)
diffpy.Structure.Parsers.P_rawxyz (module)
diffpy.Structure.Parsers.P_xcfg (module)
diffpy.Structure.Parsers.P_xyz (module)
diffpy.Structure.Parsers.parser_index_mod (module)
diffpy.Structure.Parsers.structureparser (module)
diffpy.Structure.pdffitstructure (module)
diffpy.Structure.sgtbxspacegroups (module)
diffpy.Structure.spacegroupmod (module)
diffpy.Structure.SpaceGroups (module)
diffpy.Structure.structure (module)
diffpy.Structure.StructureErrors (module)
diffpy.Structure.SymmetryUtilities (module)
diffpy.Structure.utils (module)
diffpy.Structure.version (module)
dist() (diffpy.Structure.lattice.Lattice method)
distance() (diffpy.Structure.structure.Structure method)
dot() (diffpy.Structure.lattice.Lattice method)
E
element (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
eqIndex() (diffpy.Structure.SymmetryUtilities.GeneratorSite method)
equalPositions() (in module diffpy.Structure.SymmetryUtilities)
ExpandAsymmetricUnit (class in diffpy.Structure.SymmetryUtilities)
expandPosition() (in module diffpy.Structure.SymmetryUtilities)
extend() (diffpy.Structure.structure.Structure method)
F
findCenter() (in module diffpy.Structure.expansion.shapeUtils)
fixIfWindowsPath() (in module diffpy.Structure.Parsers.P_cif)
fractional() (diffpy.Structure.lattice.Lattice method)
G
gamma (diffpy.Structure.lattice.Lattice attribute)
gammar (diffpy.Structure.lattice.Lattice attribute)
GeneratorSite (class in diffpy.Structure.SymmetryUtilities)
getLastAtom() (diffpy.Structure.structure.Structure method)
getParser() (in module diffpy.Structure.Parsers)
(in module diffpy.Structure.Parsers.P_auto)
(in module diffpy.Structure.Parsers.P_bratoms)
(in module diffpy.Structure.Parsers.P_cif)
(in module diffpy.Structure.Parsers.P_discus)
(in module diffpy.Structure.Parsers.P_pdb)
(in module diffpy.Structure.Parsers.P_pdffit)
(in module diffpy.Structure.Parsers.P_rawxyz)
(in module diffpy.Structure.Parsers.P_xcfg)
(in module diffpy.Structure.Parsers.P_xyz)
GetSpaceGroup() (in module diffpy.Structure.SpaceGroups)
getSymOp() (in module diffpy.Structure.Parsers.P_cif)
I
idx2Usymbol (diffpy.Structure.SymmetryUtilities.GeneratorSite attribute)
inputFormats() (in module diffpy.Structure.Parsers)
insert() (diffpy.Structure.structure.Structure method)
is_identity() (diffpy.Structure.spacegroupmod.SymOp method)
isanisotropic() (diffpy.Structure.lattice.Lattice method)
isconstantFormula() (in module diffpy.Structure.SymmetryUtilities)
isfloat() (in module diffpy.Structure.utils)
IsSpaceGroupIdentifier() (in module diffpy.Structure.SpaceGroups)
isSpaceGroupLatPar() (in module diffpy.Structure.SymmetryUtilities)
iter_equivalent_positions() (diffpy.Structure.spacegroupmod.SpaceGroup method)
iter_symops() (diffpy.Structure.spacegroupmod.SpaceGroup method)
L
label (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
Lattice (class in diffpy.Structure.lattice)
lattice (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
LatticeError
leading_float() (in module diffpy.Structure.Parsers.P_cif)
loadStructure() (in module diffpy.Structure)
loadStructureFile() (in module diffpy.Structure.applications.anyeye)
M
main() (in module diffpy.Structure.applications.anyeye)
(in module diffpy.Structure.applications.transtru)
makeEllipsoid() (in module diffpy.Structure.expansion.makeEllipsoid)
makeSphere() (in module diffpy.Structure.expansion.makeEllipsoid)
msdCart() (diffpy.Structure.atom.Atom method)
msdLat() (diffpy.Structure.atom.Atom method)
N
nearestSiteIndex() (in module diffpy.Structure.SymmetryUtilities)
norm() (diffpy.Structure.lattice.Lattice method)
nullSpace() (in module diffpy.Structure.SymmetryUtilities)
O
occupancy (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
orderOfRecords (diffpy.Structure.Parsers.P_pdb.P_pdb attribute)
outputFormats() (in module diffpy.Structure.Parsers)
P
P_auto (class in diffpy.Structure.Parsers.P_auto)
P_bratoms (class in diffpy.Structure.Parsers.P_bratoms)
P_cif (class in diffpy.Structure.Parsers.P_cif)
P_discus (class in diffpy.Structure.Parsers.P_discus)
P_pdb (class in diffpy.Structure.Parsers.P_pdb)
P_pdffit (class in diffpy.Structure.Parsers.P_pdffit)
P_rawxyz (class in diffpy.Structure.Parsers.P_rawxyz)
P_xcfg (class in diffpy.Structure.Parsers.P_xcfg)
P_xyz (class in diffpy.Structure.Parsers.P_xyz)
parse() (diffpy.Structure.Parsers.P_auto.P_auto method)
(diffpy.Structure.Parsers.P_cif.P_cif method)
(diffpy.Structure.Parsers.structureparser.StructureParser method)
parseFile() (diffpy.Structure.Parsers.P_auto.P_auto method)
(diffpy.Structure.Parsers.P_cif.P_cif method)
(diffpy.Structure.Parsers.structureparser.StructureParser method)
parseFormula() (in module diffpy.Structure.applications.anyeye)
parseLines() (diffpy.Structure.Parsers.P_auto.P_auto method)
(diffpy.Structure.Parsers.P_bratoms.P_bratoms method)
(diffpy.Structure.Parsers.P_cif.P_cif method)
(diffpy.Structure.Parsers.P_discus.P_discus method)
(diffpy.Structure.Parsers.P_pdb.P_pdb method)
(diffpy.Structure.Parsers.P_pdffit.P_pdffit method)
(diffpy.Structure.Parsers.P_rawxyz.P_rawxyz method)
(diffpy.Structure.Parsers.P_xcfg.P_xcfg method)
(diffpy.Structure.Parsers.P_xyz.P_xyz method)
(diffpy.Structure.Parsers.structureparser.StructureParser method)
pdffit (diffpy.Structure.structure.Structure attribute)
PDFFitStructure (class in diffpy.Structure.pdffitstructure)
placeInLattice() (diffpy.Structure.structure.Structure method)
plist (diffpy.Structure.Parsers.P_bratoms.P_bratoms attribute)
positionDifference() (in module diffpy.Structure.SymmetryUtilities)
positionFormula() (diffpy.Structure.SymmetryUtilities.GeneratorSite method)
positionFormulas() (diffpy.Structure.SymmetryUtilities.SymmetryConstraints method)
positionFormulasPruned() (diffpy.Structure.SymmetryUtilities.SymmetryConstraints method)
posparSymbols() (diffpy.Structure.SymmetryUtilities.SymmetryConstraints method)
posparValues() (diffpy.Structure.SymmetryUtilities.SymmetryConstraints method)
pruneFormulaDictionary() (in module diffpy.Structure.SymmetryUtilities)
R
read() (diffpy.Structure.pdffitstructure.PDFFitStructure method)
(diffpy.Structure.structure.Structure method)
readStr() (diffpy.Structure.pdffitstructure.PDFFitStructure method)
(diffpy.Structure.structure.Structure method)
reciprocal() (diffpy.Structure.lattice.Lattice method)
rnorm() (diffpy.Structure.lattice.Lattice method)
S
sa (diffpy.Structure.lattice.Lattice attribute)
sar (diffpy.Structure.lattice.Lattice attribute)
sb (diffpy.Structure.lattice.Lattice attribute)
sbr (diffpy.Structure.lattice.Lattice attribute)
setLatBase() (diffpy.Structure.lattice.Lattice method)
setLatPar() (diffpy.Structure.lattice.Lattice method)
sg (diffpy.Structure.lattice.Lattice attribute)
sgr (diffpy.Structure.lattice.Lattice attribute)
signalHandler() (in module diffpy.Structure.applications.anyeye)
signedRatStr() (diffpy.Structure.SymmetryUtilities.GeneratorSite method)
sind() (in module diffpy.Structure.lattice)
SpaceGroup (class in diffpy.Structure.spacegroupmod)
Structure (class in diffpy.Structure.structure)
StructureFormatError
StructureParser (class in diffpy.Structure.Parsers.structureparser)
supercell() (in module diffpy.Structure.expansion.supercell_mod)
SymmetryConstraints (class in diffpy.Structure.SymmetryUtilities)
SymmetryError
SymOp (class in diffpy.Structure.spacegroupmod)
T
title (diffpy.Structure.structure.Structure attribute)
titleLines() (diffpy.Structure.Parsers.P_pdb.P_pdb method)
toLines() (diffpy.Structure.Parsers.P_bratoms.P_bratoms method)
(diffpy.Structure.Parsers.P_cif.P_cif method)
(diffpy.Structure.Parsers.P_discus.P_discus method)
(diffpy.Structure.Parsers.P_pdb.P_pdb method)
(diffpy.Structure.Parsers.P_pdffit.P_pdffit method)
(diffpy.Structure.Parsers.P_rawxyz.P_rawxyz method)
(diffpy.Structure.Parsers.P_xcfg.P_xcfg method)
(diffpy.Structure.Parsers.P_xyz.P_xyz method)
(diffpy.Structure.Parsers.structureparser.StructureParser method)
tolist() (diffpy.Structure.structure.Structure method)
tostring() (diffpy.Structure.Parsers.structureparser.StructureParser method)
U
U (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
U11 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
U12 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
U13 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
U22 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
U23 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
U33 (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
Ucomponents (diffpy.Structure.SymmetryUtilities.GeneratorSite attribute)
UFormula() (diffpy.Structure.SymmetryUtilities.GeneratorSite method)
UFormulas() (diffpy.Structure.SymmetryUtilities.SymmetryConstraints method)
UFormulasPruned() (diffpy.Structure.SymmetryUtilities.SymmetryConstraints method)
Uisoequiv (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
unitvolume (diffpy.Structure.lattice.Lattice attribute)
UparSymbols() (diffpy.Structure.SymmetryUtilities.SymmetryConstraints method)
UparValues() (diffpy.Structure.SymmetryUtilities.SymmetryConstraints method)
usage() (in module diffpy.Structure.applications.anyeye)
(in module diffpy.Structure.applications.transtru)
V
validRecords (diffpy.Structure.Parsers.P_pdb.P_pdb attribute)
version() (in module diffpy.Structure.applications.anyeye)
(in module diffpy.Structure.applications.transtru)
volume (diffpy.Structure.lattice.Lattice attribute)
W
watchStructureFile() (in module diffpy.Structure.applications.anyeye)
write() (diffpy.Structure.structure.Structure method)
writeStr() (diffpy.Structure.structure.Structure method)
X
x (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
xyz (diffpy.Structure.structure.Structure attribute)
xyz_cartn (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
Y
y (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
Z
z (diffpy.Structure.atom.Atom attribute)
(diffpy.Structure.structure.Structure attribute)
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diffpy.Structure 1.3.5 documentation
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