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diffpy.structure 3.1.0 documentation
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A
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B
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C
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D
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E
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F
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G
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I
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L
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M
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N
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O
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P
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R
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S
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T
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U
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V
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W
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X
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Y
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Z
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__call__() (SymOp method)
__eq__() (SymOp method)
A
a (Lattice attribute)
abcABG() (Lattice method)
addNewAtom() (Structure method)
alpha (Lattice attribute)
alphar (Lattice attribute)
angle() (Lattice method)
(Structure method)
anisotropy (Atom attribute)
(Structure attribute)
append() (Structure method)
ar (Lattice attribute)
assignUniqueLabels() (Structure method)
Atom (class in diffpy.structure.atom)
atomBareSymbol() (in module diffpy.structure.utils)
atomLines() (P_pdb method)
B
b (Lattice attribute)
B11 (Atom attribute)
(Structure attribute)
B12 (Atom attribute)
(Structure attribute)
B13 (Atom attribute)
(Structure attribute)
B22 (Atom attribute)
(Structure attribute)
B23 (Atom attribute)
(Structure attribute)
B33 (Atom attribute)
(Structure attribute)
base (Lattice attribute)
baserot (Lattice attribute)
beta (Lattice attribute)
betar (Lattice attribute)
Bisoequiv (Atom attribute)
(Structure attribute)
br (Lattice attribute)
BtoU (P_cif attribute)
C
c (Lattice attribute)
ca (Lattice attribute)
car (Lattice attribute)
cartesian() (Lattice method)
cb (Lattice attribute)
cbr (Lattice attribute)
cg (Lattice attribute)
cgr (Lattice attribute)
check_group_name() (SpaceGroup method)
citation
cleanUp() (in module diffpy.structure.apps.anyeye)
cluster_boundary (P_xcfg attribute)
composition (Structure attribute)
convertStructureFile() (in module diffpy.structure.apps.anyeye)
copy() (Structure method)
cosd() (in module diffpy.structure.lattice)
cr (Lattice attribute)
cryst1Lines() (P_pdb method)
crystal_system (SpaceGroup attribute)
D
die() (in module diffpy.structure.apps.anyeye)
diffpy.structure (module)
diffpy.structure.apps (module)
diffpy.structure.apps.anyeye (module)
diffpy.structure.apps.transtru (module)
diffpy.structure.atom (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_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() (Lattice method)
distance() (Structure method)
dot() (Lattice method)
E
element (Atom attribute)
,
[1]
(Structure attribute)
eqIndex() (GeneratorSite method)
equalPositions() (in module diffpy.structure.symmetryutilities)
ExpandAsymmetricUnit (class in diffpy.structure.symmetryutilities)
expandPosition() (in module diffpy.structure.symmetryutilities)
extend() (Structure method)
F
findCenter() (in module diffpy.structure.expansion.shapeutils)
FindSpaceGroup() (in module diffpy.structure.spacegroups)
fractional() (Lattice method)
G
gamma (Lattice attribute)
gammar (Lattice attribute)
GeneratorSite (class in diffpy.structure.symmetryutilities)
getLastAtom() (Structure method)
getParser() (in module diffpy.structure.parsers)
(in module diffpy.structure.parsers.p_auto)
(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 (GeneratorSite attribute)
inputFormats() (in module diffpy.structure.parsers)
insert() (Structure method)
is_identity() (SymOp method)
isanisotropic() (Lattice method)
isconstantFormula() (in module diffpy.structure.symmetryutilities)
isfloat() (in module diffpy.structure.utils)
isiterable() (in module diffpy.structure.utils)
isotropicunit (Lattice attribute)
IsSpaceGroupIdentifier() (in module diffpy.structure.spacegroups)
isSpaceGroupLatPar() (in module diffpy.structure.symmetryutilities)
iter_equivalent_positions() (SpaceGroup method)
iter_symops() (SpaceGroup method)
L
label (Atom attribute)
,
[1]
(Structure attribute)
lattice (Atom attribute)
,
[1]
Lattice (class in diffpy.structure.lattice)
lattice (Structure attribute)
LatticeError
(class in diffpy.structure)
leading_float() (in module diffpy.structure.parsers.p_cif)
license
loadStructure() (in module diffpy.structure)
loadStructureFile() (in module diffpy.structure.apps.anyeye)
M
main() (in module diffpy.structure.apps.anyeye)
(in module diffpy.structure.apps.transtru)
makeEllipsoid() (in module diffpy.structure.expansion.makeellipsoid)
makeSphere() (in module diffpy.structure.expansion.makeellipsoid)
metrics (Lattice attribute)
msdCart() (Atom method)
msdLat() (Atom method)
N
nearestSiteIndex() (in module diffpy.structure.symmetryutilities)
norm() (Lattice method)
normbase (Lattice attribute)
nullSpace() (in module diffpy.structure.symmetryutilities)
num_primitive_sym_equiv (SpaceGroup attribute)
num_sym_equiv (SpaceGroup attribute)
number (SpaceGroup attribute)
O
occupancy (Atom attribute)
,
[1]
(Structure attribute)
orderOfRecords (P_pdb attribute)
outputFormats() (in module diffpy.structure.parsers)
P
P_auto (class in diffpy.structure.parsers.p_auto)
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() (P_auto method)
(P_cif method)
(StructureParser method)
parseFile() (P_auto method)
(P_cif method)
(StructureParser method)
parseFormula() (in module diffpy.structure.apps.anyeye)
parseLines() (P_auto method)
(P_cif method)
(P_discus method)
(P_pdb method)
(P_pdffit method)
(P_rawxyz method)
(P_xcfg method)
(P_xyz method)
(StructureParser method)
pdb_name (SpaceGroup attribute)
pdffit (Structure attribute)
PDFFitStructure (class in diffpy.structure.pdffitstructure)
placeInLattice() (Structure method)
point_group_name (SpaceGroup attribute)
positionDifference() (in module diffpy.structure.symmetryutilities)
positionFormula() (GeneratorSite method)
positionFormulas() (SymmetryConstraints method)
positionFormulasPruned() (SymmetryConstraints method)
posparSymbols() (SymmetryConstraints method)
posparValues() (SymmetryConstraints method)
pruneFormulaDictionary() (in module diffpy.structure.symmetryutilities)
R
R (SymOp attribute)
read() (PDFFitStructure method)
(Structure method)
readStr() (PDFFitStructure method)
(Structure method)
recbase (Lattice attribute)
reciprocal() (Lattice method)
recnormbase (Lattice attribute)
reference
release notes
rnorm() (Lattice method)
S
sa (Lattice attribute)
sar (Lattice attribute)
sb (Lattice attribute)
sbr (Lattice attribute)
setLatBase() (Lattice method)
setLatPar() (Lattice method)
sg (Lattice attribute)
sgr (Lattice attribute)
short_name (SpaceGroup attribute)
signalHandler() (in module diffpy.structure.apps.anyeye)
signedRatStr() (GeneratorSite method)
sind() (in module diffpy.structure.lattice)
SpaceGroup (class in diffpy.structure.spacegroupmod)
stdbase (Lattice attribute)
Structure (class in diffpy.structure.structure)
StructureFormatError
(class in diffpy.structure)
StructureParser (class in diffpy.structure.parsers.structureparser)
supercell() (in module diffpy.structure.expansion.supercell_mod)
SymmetryConstraints (class in diffpy.structure.symmetryutilities)
SymmetryError
(class in diffpy.structure)
SymOp (class in diffpy.structure.spacegroupmod)
symop_list (SpaceGroup attribute)
T
t (SymOp attribute)
title (Structure attribute)
titleLines() (P_pdb method)
toLines() (P_cif method)
(P_discus method)
(P_pdb method)
(P_pdffit method)
(P_rawxyz method)
(P_xcfg method)
(P_xyz method)
(StructureParser method)
tolist() (Structure method)
tostring() (StructureParser method)
U
U (Atom attribute)
(Structure attribute)
U11 (Atom attribute)
(Structure attribute)
U12 (Atom attribute)
(Structure attribute)
U13 (Atom attribute)
(Structure attribute)
U22 (Atom attribute)
(Structure attribute)
U23 (Atom attribute)
(Structure attribute)
U33 (Atom attribute)
(Structure attribute)
Ucomponents (GeneratorSite attribute)
UFormula() (GeneratorSite method)
UFormulas() (SymmetryConstraints method)
UFormulasPruned() (SymmetryConstraints method)
Uisoequiv (Atom attribute)
(Structure attribute)
unitvolume (Lattice attribute)
UparSymbols() (SymmetryConstraints method)
UparValues() (SymmetryConstraints method)
usage() (in module diffpy.structure.apps.anyeye)
(in module diffpy.structure.apps.transtru)
V
validRecords (P_pdb attribute)
version() (in module diffpy.structure.apps.anyeye)
(in module diffpy.structure.apps.transtru)
volume (Lattice attribute)
W
watchStructureFile() (in module diffpy.structure.apps.anyeye)
write() (Structure method)
writeStr() (Structure method)
X
x (Atom attribute)
(Structure attribute)
xyz (Atom attribute)
(Structure attribute)
xyz_cartn (Atom attribute)
(Structure attribute)
Y
y (Atom attribute)
(Structure attribute)
Z
z (Atom attribute)
(Structure attribute)
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