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updating paths for map_improve_drug_ids.py in build_all.py
1 parent f0fc321 commit 3119fa5

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Lines changed: 4 additions & 3 deletions

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scripts/map_improve_drug_ids.py

Lines changed: 4 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -27,8 +27,9 @@ def load_mapping(mapping_file='improve_drug_mapping.json'):
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"drugs": []
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}, False
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def save_mapping(mapping_data, mapping_file='improve_drug_mapping.json'):
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def save_mapping(mapping_data):
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"""Saves mapping data to disk as JSON."""
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mapping_file='tmp/improve_drug_mapping.json'
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with open(mapping_file, 'w') as f:
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json.dump(mapping_data, f, indent=2)
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print(f"Saved mapping data to {mapping_file}.")
@@ -381,7 +382,7 @@ def main():
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# Set build_date
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build_date = args.build_date or datetime.utcnow().strftime("%Y-%m-%d")
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# Mapping file path
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mapping_file = 'improve_drug_mapping.json'
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mapping_file = 'build/improve_drug_mapping.json'
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# Load or initialize improve_drug_mapping.json
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mapping_data, had_prior = load_mapping(mapping_file)
@@ -425,7 +426,7 @@ def main():
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# Sort final "drugs" by numeric portion if SMI_#, or lexically
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mapping_data["drugs"].sort(key=lambda d: parse_smi_num(d["stable_id"]) or 999999999)
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save_mapping(mapping_data, mapping_file)
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save_mapping(mapping_data)
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print(f"Updated {mapping_file} with {len(mapping_data['drugs'])} drugs.")
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# Rewrite files

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