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LipidMaps in structure
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omnipath_metabo/schema/_structure.py

Lines changed: 9 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -52,14 +52,18 @@ class SwissLipids():
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def __iter__(self):
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for met in swisslipids.swisslipids_lipids():
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yield met['Lipid ID'], met['SMILES (pH7.3)']
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"""
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class LipidMaps():
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scheme = Structure
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def __iter__(self):
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sdf = lipidmaps.structure.
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for met in sdf.data:
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yield met['LM_ID'], met['SMILES']
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"""
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sdf = lipidmaps.lmsd_sdf()
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for met in sdf:
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if smiles := met['name'].get('SMILES', None):
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yield met['id'], smiles
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#Ramp and LipidMaps

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