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1 parent bedff0b commit 859e426Copy full SHA for 859e426
chempy/symmetry/representations.py
@@ -429,7 +429,7 @@ def from_atoms(cls, n_atoms, group):
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--------
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>>> rep = Reducible.from_atoms([4, 2, 4, 2], 'c2v')
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>>> rep.gamma
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- >>> array([12, -2, 4, 2])
+ array([12, -2, 4, 2])
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"""
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n_atoms = np.array(n_atoms)
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chempy/symmetry/salcs.py
@@ -72,7 +72,7 @@ def _expand_irreducible(irred, group):
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Example
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------
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>>> _expand_irreducible((2, -1, 0), 'c3v')
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- >>> [2, -1, -1, 0, 0, 0]
+ [2, -1, -1, 0, 0, 0]
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expanded_irred = []
@@ -154,8 +154,7 @@ def _angles_to_vectors(ligand_angles):
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-------
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>>> _angles_to_vectors([[0, 90], [90, 90], [180, 90], [-90, 90]])
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- >>> [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0],
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- [-1.0, 0.0, 0.0], [0.0, -1.0, 0.0]])
+ [[1, 0, 0], [0, 1, 0], [-1, 0, 0], [0, -1, 0]]
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References
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----------
@@ -275,7 +274,7 @@ def _weights_to_symbols(weights, symbols):
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>>> import sympy
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>>> a, b, c = sympy.symbols('a b c')
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>>> _weights_to_symbols([[1, 2, 1], [0, 1, -1], [0, 0, 0]], [a, b, c])
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- >>> [a + 2*b + c, b - c, 0]
+ [a + 2*b + c, b - c, 0]
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symbolic_wt = []
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