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|
"""WSGI Flask-app for browsing a database.
::
+---------------------+
| layout.html |
| +-----------------+ | +--------------+
| | search.html | | | layout.html |
| | + | | | +---------+ |
| | table.html ----------->| |row.html | |
| | | | | +---------+ |
| +-----------------+ | +--------------+
+---------------------+
You can launch Flask's local webserver like this::
$ ase db abc.db -w
or this::
$ python3 -m ase.db.app abc.db
"""
import io
import sys
from typing import Dict, Any, Set
from pathlib import Path
from flask import Flask, render_template, request
from ase.db import connect
from ase.db.core import Database
from ase.formula import Formula
from ase.db.web import create_key_descriptions, Session
from ase.db.row import row2dct, AtomsRow
from ase.db.table import all_columns
root = Path(__file__).parent.parent.parent
app = Flask(__name__, template_folder=str(root))
projects: Dict[str, Dict[str, Any]] = {}
@app.route('/', defaults={'project_name': 'default'})
@app.route('/<project_name>')
@app.route('/<project_name>/')
def search(project_name: str):
"""Search page.
Contains input form for database query and a table result rows.
"""
if project_name == 'favicon.ico':
return '', 204, [] # 204: "No content"
session = Session(project_name)
project = projects[project_name]
return render_template(project['search_template'],
q=request.args.get('query', ''),
p=project,
session_id=session.id)
@app.route('/update/<int:sid>/<what>/<x>/')
def update(sid: int, what: str, x: str):
"""Update table of rows inside search page.
``what`` must be one of:
* query: execute query in request.args (x not used)
* limit: set number of rows to show to x
* toggle: toggle column x
* sort: sort after column x
* page: show page x
"""
session = Session.get(sid)
project = projects[session.project_name]
session.update(what, x, request.args, project)
table = session.create_table(project['database'],
project['uid_key'],
keys=list(project['key_descriptions']))
return render_template(project['table_template'],
t=table,
p=project,
s=session)
@app.route('/<project_name>/row/<uid>')
def row(project_name: str, uid: str):
"""Show details for one database row."""
project = projects[project_name]
uid_key = project['uid_key']
row = project['database'].get('{uid_key}={uid}'
.format(uid_key=uid_key, uid=uid))
dct = project['row_to_dict_function'](row, project)
return render_template(project['row_template'],
d=dct, row=row, p=project, uid=uid)
@app.route('/atoms/<project_name>/<int:id>/<type>')
def atoms(project_name: str, id: int, type: str):
"""Return atomic structure as cif, xyz or json."""
row = projects[project_name]['database'].get(id=id)
a = row.toatoms()
if type == 'cif':
b = io.BytesIO()
a.pbc = True
a.write(b, 'cif', wrap=False)
return b.getvalue(), 200, []
fd = io.StringIO()
if type == 'xyz':
a.write(fd, 'xyz')
elif type == 'json':
con = connect(fd, type='json')
con.write(row,
data=row.get('data', {}),
**row.get('key_value_pairs', {}))
else:
1 / 0
headers = [('Content-Disposition',
'attachment; filename="{project_name}-{id}.{type}"'
.format(project_name=project_name, id=id, type=type))]
txt = fd.getvalue()
return txt, 200, headers
@app.route('/gui/<int:id>')
def gui(id: int):
"""Pop ud ase gui window."""
from ase.visualize import view
atoms = projects['default']['database'].get_atoms(id)
view(atoms)
return '', 204, []
@app.route('/test')
def test():
from pyjokes import get_joke as j
return j()
@app.route('/robots.txt')
def robots():
return ('User-agent: *\n'
'Disallow: /\n'
'\n'
'User-agent: Baiduspider\n'
'Disallow: /\n'
'\n'
'User-agent: SiteCheck-sitecrawl by Siteimprove.com\n'
'Disallow: /\n',
200)
def handle_query(args) -> str:
"""Converts request args to ase.db query string."""
return args['query']
def row_to_dict(row: AtomsRow, project: Dict[str, Any]) -> Dict[str, Any]:
"""Convert row to dict for use in html template."""
dct = row2dct(row, project['key_descriptions'])
dct['formula'] = Formula(Formula(row.formula).format('abc')).format('html')
return dct
def add_project(db: Database) -> None:
"""Add database to projects with name 'default'."""
all_keys: Set[str] = set()
for row in db.select(columns=['key_value_pairs'], include_data=False):
all_keys.update(row._keys)
key_descriptions = {key: (key, '', '') for key in all_keys}
meta: Dict[str, Any] = db.metadata
if 'key_descriptions' in meta:
key_descriptions.update(meta['key_descriptions'])
default_columns = meta.get('default_columns')
if default_columns is None:
default_columns = all_columns[:]
projects['default'] = {
'name': 'default',
'title': meta.get('title', ''),
'uid_key': 'id',
'key_descriptions': create_key_descriptions(key_descriptions),
'database': db,
'row_to_dict_function': row_to_dict,
'handle_query_function': handle_query,
'default_columns': default_columns,
'search_template': 'ase/db/templates/search.html',
'row_template': 'ase/db/templates/row.html',
'table_template': 'ase/db/templates/table.html'}
if __name__ == '__main__':
db = connect(sys.argv[1])
add_project(db)
app.run(host='0.0.0.0', debug=True)
|
