From 261601c9a92e773094ce89b462b865718c026cd1 Mon Sep 17 00:00:00 2001
From: Malte Schokolowski <baw8441@uni-hamburg.de>
Date: Thu, 9 Dec 2021 21:41:15 +0100
Subject: [PATCH] deleted input_fj
---
verarbeitung/input_fj.py | 154 ------------------------------------
verarbeitung/json_text.json | 2 +-
2 files changed, 1 insertion(+), 155 deletions(-)
delete mode 100644 verarbeitung/input_fj.py
diff --git a/verarbeitung/input_fj.py b/verarbeitung/input_fj.py
deleted file mode 100644
index ecc8e68..0000000
--- a/verarbeitung/input_fj.py
+++ /dev/null
@@ -1,154 +0,0 @@
-#!/usr/bin/env python3
-"""
-Functions for information retrieval of articles from the ACS journal JCIM
-
-"""
-
-__author__ = "Florian Jochens"
-__email__ = "fj@andaco.de"
-__status__ = "Production"
-#__copyright__ = ""
-#__credits__ = ["", "", "", ""]
-#__license__ = ""
-#__version__ = ""
-#__maintainer__ = ""
-
-from bs4 import BeautifulSoup as bs
-import requests as req
-import sys
-from pathlib import Path
-
-class Publication:
- #_registry = []
- _citations = []
- _references = []
-
- def __init__(self, title, publication_date, contributors, doi_url,
- subjects = None, num_citations = None):
- #self._registry.append(self)
- self.title = title
- self.publication_date = publication_date
- self.contributors = contributors
- self.doi_url = doi_url
- self.subjects = subjects
- self.num_citations = num_citations
- #self._citations = []
- #self._references = []
-
-class Citation:
- def __init__(self, title, journal, contributors, doi_url):
- self.title = title
- self.journal = journal
- self.contributors = contributors
- self.doi_url = doi_url
-
-class References:
- def __init__(self, title, journal, contributors, doi_url):
- self.title = title
- self.journal = journal
- self.contributors = contributors
- self.doi_url = doi_url
-
-def get_article_info(soup):
- header = soup.find('div', class_ = 'article_header-left pull-left')
- article_title = header.find('span', class_ = 'hlFld-Title').text
- publication_date = header.find('span', class_ = 'pub-date-value').text
- for link in header.find('div', class_ = 'article_header-doiurl'):
- doi_url = link.get('href')
- subs = header.find('div', class_ = 'article_header-taxonomy')
- subjects = []
- for sub in subs.find_all('a'):
- subjects.append(sub.get('title'))
- cons = header.find('ul', class_ = 'loa')
- contributors = []
- for con in cons.find_all('span', class_ = 'hlFld-ContribAuthor'):
- contributors.append(con.text)
- numc = header.find('div', class_ = 'articleMetrics_count')
- if not numc.a:
- num_citations = 0
- else:
- num_citations = numc.a.text
-
- pub = Publication(article_title, publication_date, contributors, doi_url,
- subjects, num_citations)
- return pub
-
-def get_download_url():
- export = soup.find('div', class_ = 'cit-download-dropdown_content')
- url = 'https://pubs.acs.org'
- for link in export.find_all('a'):
- if link.get('title') == 'Citation and references':
- url += link.get('href')
- print(url)
- return url
-
-def download(url): # Download citation and references file
- if url.find('='):
- filename = url.rsplit('=', 1)[1]
- path = Path(('./files/' + filename))
- if path.is_file():
- print("File already exists")
- else:
- print("File does not exist")
-
-def get_citation_info(pub, num_citations, soup):
- pub._citations = []
- details = soup.find('ol', class_ = 'cited-content_cbyCitation')
- titles = []
- for title in details.find_all('span',
- class_ = 'cited-content_cbyCitation_article-title'):
- titles.append(title.text.replace('.', ''))
- journal_names = []
- for name in details.find_all('span',
- class_ = 'cited-content_cbyCitation_journal-name'):
- journal_names.append(name.text)
- doi_urls = []
- for url in details.find_all('a'):
- doi_urls.append(url.get('href'))
- contributors = []
- for contrib in details.find_all('span',
- class_ = 'cited-content_cbyCitation_article-contributors'):
- contributors.append(contrib.text)
- for i in range(0, int(num_citations)):
- pub._citations.append(Citation(titles[i], journal_names[i],
- contributors[i], doi_urls[i]))
-def print_pub_info(pub):
- print(f'''Article title: {pub.title}
-Publication date: {pub.publication_date}
-DOI-URL: {pub.doi_url}
-
-Subjects:''')
- print(*(pub.subjects), sep = ", ")
- print('\nContributors:')
- print(*(pub.contributors), sep = ", ")
-
- if int(pub.num_citations) > 0:
- if int(pub.num_citations) == 1:
- print(f'\nThis publication is cited by the following publication:\n')
- else:
- print(f'\nThis publication is cited by the following {pub.num_citations} publications:\n')
- for citation in pub._citations:
- print(f'''
- Title: {citation.title}
- Journal: {citation.journal}
- Contributors: {citation.contributors}
- DOI-URL: {citation.doi_url}
- ''')
- else:
- print('\nThis publication is not cited by any other publication.')
-
-def input(url):
- html_text = req.get(url).text
- soup = bs(html_text, 'html.parser')
-
- pub = get_article_info(soup)
- if int(pub.num_citations) > 0:
- get_citation_info(pub, int(pub.num_citations), soup)
- return pub
-
-#if len(sys.argv) != 2:
-# sys.stderr.write('Usage: {} <url>\n'.format(sys.argv[0]))
-# exit(1)
-#url = sys.argv[1]
-#pub = input(url)
-#print_pub_info(pub)
diff --git a/verarbeitung/json_text.json b/verarbeitung/json_text.json
index 81132f7..fbdfcd7 100644
--- a/verarbeitung/json_text.json
+++ b/verarbeitung/json_text.json
@@ -1 +1 @@
-{"nodes": [{"name": "Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis", "author": ["Emanuel S. R. Ehmki", "Robert Schmidt", "Farina Ohm", "Matthias Rarey"], "year": "May 24, 2019", "journal": "Journal of Chemical Information and Modeling", "doi": "https://doi.org/10.1021/acs.jcim.9b00249", "group": "input", "citations": 5}, {"name": "Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems", "author": ["John A. Keith", "Valentin Vassilev-Galindo", "Bingqing Cheng", "Stefan Chmiela", "Michael Gastegger", "Klaus-Robert M\u00fcller", "Alexandre Tkatchenko"], "year": "July 7, 2021", "journal": "Chem. Rev.", "doi": "https://doi.org/10.1021/acs.chemrev.1c00107", "group": "height", "citations": 2}, {"name": "Disconnected Maximum Common Substructures under Constraints", "author": ["Robert Schmidt", "Florian Krull", "Anna Lina Heinzke", "Matthias Rarey"], "year": "December 16, 2020", "journal": "Journal of Chemical Information and Modeling", "doi": "https://doi.org/10.1021/acs.jcim.0c00741", "group": "height", "citations": 0}, {"name": "Evolution of Novartis\u2019 Small Molecule Screening Deck Design", "author": ["Ansgar Schuffenhauer", "Nadine Schneider", "Samuel Hintermann", "Douglas Auld", "Jutta Blank", "Simona Cotesta", "Caroline Engeloch", "Nikolas Fechner", "Christoph Gaul", "Jerome Giovannoni", "Johanna Jansen", "John Joslin", "Philipp Krastel", "Eugen Lounkine", "John Manchester", "Lauren G. Monovich", "Anna Paola Pelliccioli", "Manuel Schwarze", "Michael D. Shultz", "Nikolaus Stiefl", "Daniel K. Baeschlin"], "year": "November 3, 2020", "journal": "Journal of Medicinal Chemistry", "doi": "https://doi.org/10.1021/acs.jmedchem.0c01332", "group": "height", "citations": 8}, {"name": "Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms", "author": ["Robert Schmidt", "Emanuel S. R. Ehmki", "Farina Ohm", "Hans-Christian Ehrlich", "Andriy Mashychev", "Matthias Rarey"], "year": "May 23, 2019", "journal": "Journal of Chemical Information and Modeling", "doi": "https://doi.org/10.1021/acs.jcim.9b00250", "group": "height", "citations": 12}, {"name": "AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings", "author": ["Jerome Eberhardt", "Diogo Santos-Martins", "Andreas F. Tillack", "Stefano Forli"], "year": "July 19, 2021", "journal": "Journal of Chemical Information and Modeling", "doi": "https://doi.org/10.1021/acs.jcim.1c00203", "group": "input", "citations": 1}, {"name": "Accelerating AutoDock4 with GPUs and Gradient-Based Local Search", "author": ["Diogo Santos-Martins", "Leonardo Solis-Vasquez", "Andreas F Tillack", "Michel F Sanner", "Andreas Koch", "Stefano Forli"], "year": "January 6, 2021", "journal": "Journal of Chemical Theory and Computation", "doi": "https://doi.org/10.1021/acs.jctc.0c01006", "group": "depth", "citations": 14}, {"name": "Docking Flexible Cyclic Peptides with AutoDock CrankPep", "author": ["Yuqi Zhang", "Michel F. Sanner"], "year": "September 11, 2019", "journal": "Journal of Chemical Theory and Computation", "doi": "https://doi.org/10.1021/acs.jctc.9b00557", "group": "depth", "citations": 9}, {"name": "Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise", "author": ["David Ryan Koes", "Matthew P. Baumgartner", "Carlos J. Camacho"], "year": "February 4, 2013", "journal": "Journal of Chemical Information and Modeling", "doi": "https://doi.org/10.1021/ci300604z", "group": "depth", "citations": 100}, {"name": "Vina-Carb: Improving Glycosidic Angles during Carbohydrate Docking", "author": ["Anita K. Nivedha", "David F. Thieker", "Spandana Makeneni", "Huimin Hu", "Robert J. 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\ No newline at end of file
+{"nodes": [{"name": "title_h02", "author": ["contributor_h02"], "year": "date_h02", "journal": "journal_h02", "doi": "doi_h02", "group": "input", "citations": 1}, {"name": "title_h1", "author": ["contributor_h1"], "year": "date_h1", "journal": "journal_h1", "doi": "doi_h1", "group": "height", "citations": 1}, {"name": "title_h2", "author": ["contributor_h2"], "year": "date_h2", "journal": "journal_h2", "doi": "doi_h2", "group": "height", "citations": 1}], "links": [{"source": "doi_h1", "target": "doi_h02"}, {"source": "doi_h2", "target": "doi_h1"}]}
\ No newline at end of file
--
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