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add Smarts alias
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README.md

+6-6
Original file line numberDiff line numberDiff line change
@@ -28,9 +28,9 @@ import molhighlighter as mh
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mol = Chem.MolFromSmiles("C1=CC(=CC=C1N=NC2=CC=C(C=C2)Br)O")
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highlights = [
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mh.Highlight.from_smarts(mol, "c1ccccc1Br", fill_ring=True),
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mh.Highlight.from_smarts(mol, "N=N"),
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mh.Highlight.from_smarts(mol, "c1ccccc1O", fill_ring=True),
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mh.Smarts(mol, "c1ccccc1Br", fill_ring=True),
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mh.Smarts(mol, "N=N"),
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mh.Smarts(mol, "c1ccccc1O", fill_ring=True),
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]
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mh.MolHighlighter(mol, highlights)
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```
@@ -45,9 +45,9 @@ mol = Chem.MolFromSmiles("C1=CC(=CC=C1N=NC2=CC=C(C=C2)Br)O")
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name = "4-[(4-bromophenyl)diazenyl]phenol"
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highlights = [
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mh.Highlight.from_smarts(mol, "c1ccccc1Br", "bromophenyl", fill_ring=True),
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mh.Highlight.from_smarts(mol, "N=N", "diazenyl"),
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mh.Highlight.from_smarts(mol, "c1ccccc1O", "phenol", fill_ring=True),
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mh.Smarts(mol, "c1ccccc1Br", "bromophenyl", fill_ring=True),
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mh.Smarts(mol, "N=N", "diazenyl"),
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mh.Smarts(mol, "c1ccccc1O", "phenol", fill_ring=True),
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]
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mh.MolHighlighter(mol, highlights, label=name)
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```

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