Source code for pymatgen.io.vasp.help

"""
Get help with VASP parameters from VASP wiki.
"""

import requests
import re
import urllib3

from bs4 import BeautifulSoup


[docs]class VaspDoc: """ A VASP documentation helper. """ def __init__(self): """ Init for VaspDoc. """ self.url_template = "http://www.vasp.at/wiki/index.php/%s" urllib3.disable_warnings()
[docs] def print_help(self, tag): """ Print the help for a TAG. Args: tag (str): Tag used in VASP. """ print(self.get_help(tag))
[docs] def print_jupyter_help(self, tag): """ Display HTML help in ipython notebook. Args: tag (str): Tag used in VASP. """ help = self.get_help(tag, "html") from IPython.core.display import display, HTML display(HTML(help))
[docs] def get_help(self, tag, fmt="text"): """ Get help on a VASP tag. Args: tag (str): VASP tag, e.g., ISYM. Returns: Help text. """ tag = tag.upper() r = requests.get("http://www.vasp.at/wiki/index.php/%s" % tag, verify=False) soup = BeautifulSoup(r.text) main_doc = soup.find(id="mw-content-text") if fmt == "text": output = main_doc.text output = re.sub("\n{2,}", "\n\n", output) else: output = str(main_doc) return output
[docs] def get_incar_tags(self): """ Returns: All incar tags """ tags = [] for page in ["http://www.vasp.at/wiki/index.php/Category:INCAR", "http://www.vasp.at/wiki/index.php?title=Category:INCAR&pagefrom=ML+FF+LCONF+DISCARD#mw-pages"]: r = requests.get(page, verify=False) soup = BeautifulSoup(r.text) for div in soup.findAll('div', {'class': 'mw-category-group'}): children = div.findChildren('li') for child in children: tags.append(child.text.strip()) return tags
if __name__ == "__main__": doc = VaspDoc() doc.print_help("ISYM") print(doc.get_incar_tags())