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rasbt / smilite Public

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smilite
test

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test_get_zinc_smile.py

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8 lines (5 loc) · 170 Bytes

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smilite
test

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test_get_zinc_smile.py

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8 lines (5 loc) · 170 Bytes

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# Sebastian Raschka, 02/2014

import smilite

def test_get_zinc_smile():

out = smilite.get_zinc_smile('ZINC00029323')

assert out == 'COc1cccc(c1)NC(=O)c2cccnc2'

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