From 21944e419e47db1c79c7f0f766a9f6e3105580a4 Mon Sep 17 00:00:00 2001 From: Sulstice Date: Tue, 16 Jul 2024 19:59:38 -0500 Subject: [PATCH] added the fixes to methylthiolate, acetamide, and acetate --- stages/01_download.py | 31 +- stages/links.txt | 42504 ++++++++++++++++++++++++++++++++++++++++ 2 files changed, 42520 insertions(+), 15 deletions(-) create mode 100644 stages/links.txt diff --git a/stages/01_download.py b/stages/01_download.py index 05b9f31..882d744 100644 --- a/stages/01_download.py +++ b/stages/01_download.py @@ -30,16 +30,18 @@ args = urlencode({'sourcename': name, 'response_type': 'save', 'response_basename': f'{name}_PubChemAnnotationTopics'}) links += [f"{base_url}?{args}"] +out_file = open('links.txt', 'w') + # Download links to cache/{source_name}/annotations.json safe_sources = [re.sub(r'[\\/*?:"<>|]', '_', name) for name in source_names] # for link, name in tqdm.tqdm(zip(links, safe_sources), total=len(links), desc="Downloading annotations"): -# annotation_path = os.path.join('cache/01_download', name, 'annotations.json') -# os.makedirs(os.path.dirname(annotation_path), exist_ok=True) -# response = requests.get(link, stream=True) -# time.sleep(3) # Be nice to the server -# with open(annotation_path, 'wb') as f: -# for chunk in response.iter_content(chunk_size=8192): -# _ = f.write(chunk) +# annotation_path = os.path.join('cache/01_download', name, 'annotations.json') +# os.makedirs(os.path.dirname(annotation_path), exist_ok=True) +# response = requests.get(link, stream=True) +# time.sleep(3) # Be nice to the server +# with open(annotation_path, 'wb') as f: +# for chunk in response.iter_content(chunk_size=8192): +# _ = f.write(chunk) # Make a 'headings' table by reading all the annotations.json files headings = [] @@ -66,7 +68,6 @@ base_url = "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/annotations/heading/JSON/?" for index, row in tqdm.tqdm(heading_df.iterrows(), total=len(heading_df), desc="Downloading headings"): - time.sleep(3) safe_heading = re.sub(r'[\\/*?:"<>|]', '_', row['heading']) args = { 'source': row['source'], @@ -87,7 +88,7 @@ # Add the current page to the args and construct the URL args['page'] = current_page paginated_url = f"{base_url}{urlencode(args)}" - + out_file.write(paginated_url + '\n') try: # Fetch data for the current page response = requests.get(paginated_url) @@ -95,12 +96,12 @@ data = response.json() annotations = data.get('Annotations', {}) all_data.extend(annotations.get('Annotation', [])) - # Check if more pages exist - if current_page >= annotations.get('TotalPages', 1): - break - # Move to the next page - current_page += 1 - time.sleep(1) # be nice to the server + total_pages = annotations.get('TotalPages', 1) + for i in range(int(total_pages)): + args['page'] = i + paginated_url = f"{base_url}{urlencode(args)}" + out_file.write(paginated_url + '\n') + break else: print(f"Failed to download page {current_page} for {row['heading']} from {row['source']}") except 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