| Method Summary |
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__init__(self,
a,
b,
c,
alpha,
beta,
gamma,
space_group,
angle_units)
|
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__str__(self)
|
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calc_alpha_deg(self)
Returns the alpha angle in degrees. |
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calc_beta_deg(self)
Returns the beta angle in degrees. |
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calc_cell(self,
xyz)
Returns the cell integer 3-Tuple where the xyz fractional coordinates
are located. |
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calc_frac_to_orth(self,
v)
Calculates and returns the orthogonal coordinate vector of fractional
vector v. |
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calc_fractionalization_matrix(self)
Fractional to cartesian coordinates. |
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calc_gamma_deg(self)
Returns the gamma angle in degrees. |
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calc_orth_symop(self,
symop)
Calculates the orthogonal space symmetry operation (return SymOp)
given a fractional space symmetry operation (argument SymOp). |
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calc_orth_symop2(self,
symop)
Calculates the orthogonal space symmetry operation (return SymOp)
given a fractional space symmetry operation (argument SymOp). |
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calc_orth_to_frac(self,
v)
Calculates and returns the fractional coordinate vector of orthogonal
vector v. |
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calc_orthogonalization_matrix(self)
Cartesian to fractional coordinates. |
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calc_reciprocal_unit_cell(self)
Corresponding reciprocal unit cell. |
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calc_v(self)
Calculates the volume of the rhombohedrial created by the unit vectors
a1/|a1|, a2/|a2|, a3/|a3|. |
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calc_volume(self)
Calculates the volume of the unit cell. |
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cell_search_iter(self)
Yields 3-tuple integer translations over a 3x3x3 cube used by other
methods for searching nearby unit cells. |
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iter_struct_orth_symops(self,
struct)
Iterate over the orthogonal-space symmetry operations which will place
a symmetry related structure near the argument struct. |
| Inherited from object |
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__delattr__(...)
x.__delattr__('name') <==> del x.name |
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__getattribute__(...)
x.__getattribute__('name') <==> x.name |
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__hash__(x)
x.__hash__() <==> hash(x) |
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__new__(T,
S,
...)
T.__new__(S, ...) -> a new object with type S, a subtype of T |
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__reduce__(...)
helper for pickle |
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__reduce_ex__(...)
helper for pickle |
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__repr__(x)
x.__repr__() <==> repr(x) |
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__setattr__(...)
x.__setattr__('name', value) <==> x.name = value |