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chore: fix pre-commit
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Lines changed: 65 additions & 42 deletions

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src/diffpy/srfit/structure/cctbxparset.py

Lines changed: 12 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -136,7 +136,18 @@ class CCTBXUnitCellParSet(ParameterSet):
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----------
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name
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Always "unitcell".
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a, b, c, alpha, beta, gamma -- Unit cell parameters (ParameterAdapter).
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a
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Unit cell parameters (ParameterAdapter).
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b
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Unit cell parameters (ParameterAdapter).
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c
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Unit cell parameters (ParameterAdapter).
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alpha
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Unit cell parameters (ParameterAdapter).
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beta
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Unit cell parameters (ParameterAdapter).
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gamma
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Unit cell parameters (ParameterAdapter).
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"""
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def __init__(self, strups):

src/diffpy/srfit/structure/diffpyparset.py

Lines changed: 24 additions & 12 deletions
Original file line numberDiff line numberDiff line change
@@ -174,20 +174,32 @@ def _latsetter(par):
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class DiffpyLatticeParSet(ParameterSet):
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"""A wrapper for diffpy.structure.Lattice.
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This class derives from diffpy.srfit.fitbase.parameterset.ParameterSet. See
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this class for base attributes.
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This class derives from diffpy.srfit.fitbase.parameterset.ParameterSet.
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See this class for base attributes.
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Attributes
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----------
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lattice
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The diffpy.structure.Lattice this is adapting
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name
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Always "lattice"
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angunits
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"deg", the units of angle
180+
Attributes
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----------
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lattice
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The diffpy.structure.Lattice this is adapting
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name
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Always "lattice"
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angunits
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"deg", the units of angle
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Managed Parameters
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------------------
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Parameters
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----------
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a
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Unit cell parameters (ParameterAdapter).
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b
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Unit cell parameters (ParameterAdapter).
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c
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Unit cell parameters (ParameterAdapter).
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alpha
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Unit cell parameters (ParameterAdapter).
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beta
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Unit cell parameters (ParameterAdapter).
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gamma
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Unit cell parameters (ParameterAdapter).
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"""
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def __init__(self, lattice):

src/diffpy/srfit/structure/objcrystparset.py

Lines changed: 29 additions & 29 deletions
Original file line numberDiff line numberDiff line change
@@ -1658,36 +1658,36 @@ def getValue(self):
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class ObjCrystCrystalParSet(SrRealParSet):
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"""A adaptor for pyobjcryst.crystal.Crystal instance.
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1661-
This class derives from diffpy.srfit.fitbase.parameterset.ParameterSet. See
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this class for base attributes.
1661+
This class derives from diffpy.srfit.fitbase.parameterset.ParameterSet.
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See this class for base attributes.
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1664-
Attributes
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----------
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stru
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The adapted pyobjcryst.Crystal.
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scatterers
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The list of aggregated ScattererParSets (either
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ObjCrystAtomParSet or ObjCrystMoleculeParSet), provided for
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convenience.
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_sgpars
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A BaseSpaceGroupParameters object containing free structure
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Parameters. See the diffpy.srfit.structure.sgconstraints
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module.
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sgpars
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property that creates _sgpars when it is needed.
1678-
angunits
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"rad", the units of angle
1680-
1681-
Managed Parameters
1682-
------------------
1683-
1684-
Managed ParameterSets
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---------------------
1686-
<sname>
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A ObjCrystScattererParSet (either ObjCrystAtomParSet or
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ObjCrystMoleculeParSet), where <sname> is the name of the
1689-
adapted pyobjcryst.atom.Atom or
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pyobjcryst.molecule.Molecule.
1664+
Attributes
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----------
1666+
stru
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The adapted pyobjcryst.Crystal.
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scatterers
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The list of aggregated ScattererParSets (either
1670+
ObjCrystAtomParSet or ObjCrystMoleculeParSet), provided for
1671+
convenience.
1672+
_sgpars
1673+
A BaseSpaceGroupParameters object containing free structure
1674+
Parameters. See the diffpy.srfit.structure.sgconstraints
1675+
module.
1676+
sgpars
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property that creates _sgpars when it is needed.
1678+
angunits
1679+
"rad", the units of angle
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1681+
Parameters
1682+
----------
1683+
x
1684+
Scatterer position in crystal coordinates (ParameterWraper)
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y
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Scatterer position in crystal coordinates (ParameterWraper)
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z
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Scatterer position in crystal coordinates (ParameterWraper)
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occ
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Occupancy of the scatterer on its crystal site (ParameterWraper)
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"""
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def __init__(self, name, cryst):

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