Refactor minorly: tabs, settings values

Author: blokhin

tests/berlinium/basic_server.py

@@ -9,7 +9,7 @@
 from sockjs.tornado import SockJSRouter
 
 import set_path
-from tilde.core.settings import settings
+from tilde.core.settings import settings, GUI_URL_TPL
 from tilde.core.api import API
 import tilde.core.model as model
 from tilde.berlinium import Async_Connection, add_redirection
@@ -60,7 +60,7 @@ def sleep(req, client_id, db_session):
  DuplexRouter = SockJSRouter(Connection)
 
  application = web.Application(
- add_redirection(DuplexRouter.urls, settings['gui_url']),
+ add_redirection(DuplexRouter.urls, GUI_URL_TPL % settings['webport']),
  debug = True if logging.getLogger().getEffectiveLevel()==logging.DEBUG or settings['debug_regime'] else False
  )
  application.listen(settings['webport'], address='0.0.0.0')

tilde/core/settings.py

@@ -3,7 +3,7 @@
 # Author: Evgeny Blokhin
 
 import os, sys
-import json # using native driver due to indent
+import json
 
 from sqlalchemy import create_engine
 from sqlalchemy.orm import sessionmaker, scoped_session
@@ -23,6 +23,8 @@
 INIT_DATA = os.path.join(DATA_DIR, 'sql/init-data.sql')
 TEST_DBS_FILE = os.path.join(DATA_DIR, 'test_dbs.txt')
 TEST_DBS_REF_FILE = os.path.join(DATA_DIR, 'test_dbs_ref.txt')
+SETTINGS_PATH = DATA_DIR + os.sep + SETTINGS_FILE
+GUI_URL_TPL = 'http://tilde-lab.github.io/berlinium/?http://127.0.0.1:%s'
 
 DEFAULT_SETUP = {
 
@@ -46,18 +48,21 @@
 
  # Server part
  'webport': 8070,
- 'title': "Tilde GUI",
- 'gui_url': "http://tilde-lab.github.io/berlinium/?https://db.tilde.pro"
+ 'title': "Tilde GUI"
 }
 
 def virtualize_path(item):
  return item
 
 def connect_url(settings, named=None):
  if settings['db']['engine'] == 'sqlite':
- if not named: named = settings['db']['default_sqlite_db']
- if os.sep in named: named = os.path.realpath(os.path.abspath(named))
- else: named = os.path.join(DATA_DIR, named)
+ if not named:
+ named = settings['db']['default_sqlite_db']
+ if os.sep in named:
+ named = os.path.realpath(os.path.abspath(named))
+ else:
+ named = os.path.join(DATA_DIR, named)
+
  return settings['db']['engine'] + ':///' + named
 
  elif settings['db']['engine'] == 'postgresql':
@@ -114,10 +119,10 @@ def write_settings(settings):
  '''
  if not os.access(DATA_DIR, os.W_OK): return False
  try:
- f = open(DATA_DIR + os.sep + SETTINGS_FILE, 'w')
+ f = open(SETTINGS_PATH, 'w')
  f.writelines(json.dumps(settings, indent=0))
  f.close()
- os.chmod(os.path.abspath(DATA_DIR + os.sep + SETTINGS_FILE), 0o777) # to avoid (or create?) IO problems with multiple users
+ os.chmod(os.path.abspath(SETTINGS_PATH), 0o777) # to avoid (or create?) IO problems with multiple users
  except IOError:
  return False
  else:
@@ -177,17 +182,25 @@ def get_hierarchy(settings):
  return hierarchy, hierarchy_groups, hierarchy_values
 
 # DEFAULT ACTIONS: LOAD/SAVE SETTINGS
-if not os.path.exists( os.path.abspath( DATA_DIR + os.sep + SETTINGS_FILE ) ):
+if not os.path.exists(os.path.abspath(SETTINGS_PATH)):
  settings = DEFAULT_SETUP
  if not os.path.exists(DATA_DIR):
- try: os.makedirs(DATA_DIR)
- except IOError: sys.exit('I/O error: failed write ' + DATA_DIR)
- if not write_settings(settings): sys.exit('I/O error: failed to save settings in ' + DATA_DIR)
+ try:
+ os.makedirs(DATA_DIR)
+ except IOError:
+ sys.exit('I/O error: failed write ' + DATA_DIR)
+ if not write_settings(settings):
+ sys.exit('I/O error: failed to save settings in ' + DATA_DIR)
+
 try: settings
 except NameError:
- try: settings = json.loads( open( DATA_DIR + os.sep + SETTINGS_FILE ).read() )
- except ValueError: sys.exit('Your '+DATA_DIR + os.sep + SETTINGS_FILE+' seems to be bad-formatted, please, pay attention to commas and quotes!')
- except IOError: sys.exit('Your '+DATA_DIR + os.sep + SETTINGS_FILE+' is not accessible!')
+ try:
+ settings = json.loads(open(SETTINGS_PATH).read())
+ except ValueError:
+ sys.exit('Your ' + SETTINGS_PATH + ' seems to be bad-formatted, please, pay attention to commas and quotes!')
+ except IOError:
+ sys.exit('Your ' + SETTINGS_PATH + ' is not accessible!')
+
  DEFAULT_SETUP.update(settings)
  settings = DEFAULT_SETUP
 

utils/entry.py

@@ -1,24 +1,24 @@
 #!/usr/bin/env python
-#
-# Entry junction
-# Author: Evgeny Blokhin
 '''
-Tilde is general-purpose materials informatics framework
-for intelligent organizers of the scientific modeling data.
+Entry junction
+
+Tilde is a general-purpose materials informatics framework
+for intelligent organizers of the first-principles modeling data.
 More info: https://tilde.pro
+
+Author: Evgeny Blokhin
 '''
-from __future__ import print_function
 import os, sys
 import time
 import logging
-
 import argparse
+
 from numpy import array
 from numpy.linalg import det
 
 import chk_tilde_install
 
-from tilde.core.settings import settings, connect_database, DATA_DIR, DB_SCHEMA_VERSION
+from tilde.core.settings import settings, connect_database, DATA_DIR, SETTINGS_PATH, DB_SCHEMA_VERSION
 from tilde.core.common import write_cif, num2name
 from tilde.core.symmetry import SymmetryFinder
 from tilde.core.api import API
@@ -32,22 +32,22 @@
 parser = argparse.ArgumentParser(
  prog="[this_script]",
  usage="%(prog)s [positional / optional arguments]",
- epilog="API v%s, DB schema v%s (%s backend)" % (API.version, DB_SCHEMA_VERSION, settings['db']['engine']),
+ epilog="API v%s, DB schema v%s (%s backend), settings from %s" % (API.version, DB_SCHEMA_VERSION, settings['db']['engine'], SETTINGS_PATH),
  argument_default=argparse.SUPPRESS
 )
-parser.add_argument("path",  action="store", help="Scan file(s) / folder(s) / matching-filename(s), divide by space", metavar="PATH(S)/FILE(S)", nargs='*', default=False)
-parser.add_argument("-y",  dest="symprec", action="store", help="symmetry detecting tolerance (default %.01e)" % SymmetryFinder.accuracy, type=float, metavar="float", nargs='?', const=None, default=None)
-parser.add_argument("-r",  dest="recursive", action="store", help="scan recursively", type=bool, metavar="", nargs='?', const=True, default=False)
-parser.add_argument("-t",  dest="terse", action="store", help="terse print during scan", type=bool, metavar="", nargs='?', const=True, default=False)
-parser.add_argument("-a",  dest="add", action="store", help="add results to the database", type=str, metavar="N if sqlite", nargs='?', const=settings['db']['default_sqlite_db'], default=False)
-parser.add_argument("-v",  dest="convergence", action="store", help="print calculation convergence", type=bool, metavar="", nargs='?', const=True, default=False)
-parser.add_argument("-f",  dest="freqs", action="store", help="print phonons", type=bool, metavar="", nargs='?', const=True, default=False)
-parser.add_argument("-i",  dest="info", action="store", help="print tags", type=bool, metavar="", nargs='?', const=True, default=False)
-parser.add_argument("-m",  dest="module", action="store", help="invoke a module from the list", nargs='?', const=True, default=False, choices=list(Tilde.Apps.keys()))
-parser.add_argument("-s",  dest="structures", action="store", help="print the final lattice and the final atomic structure", type=bool, metavar="", nargs='?', const=True, default=False)
-parser.add_argument("-c",  dest="cif", action="store", help="save i-th CIF structure in \"data\" folder", type=int, metavar="i", nargs='?', const=-1, default=False)
-parser.add_argument("-x",  dest="service", action="store", help="print total number of items (use to create schema)", type=bool, metavar="", nargs='?', const=True, default=False)
-parser.add_argument("-l",  dest="targetlist", action="store", help="file with scan targets", type=str, metavar="file", nargs='?', const=None, default=None)
+parser.add_argument("path", action="store", help="Scan file(s) / folder(s) / matching-filename(s), divide by space", metavar="PATH(S)/FILE(S)", nargs='*', default=False)
+parser.add_argument("-y", dest="symprec", action="store", help="symmetry detecting tolerance (default %.01e)" % SymmetryFinder.accuracy, type=float, metavar="float", nargs='?', const=None, default=None)
+parser.add_argument("-r", dest="recursive", action="store", help="scan recursively", type=bool, metavar="", nargs='?', const=True, default=False)
+parser.add_argument("-t", dest="terse", action="store", help="terse print during scan", type=bool, metavar="", nargs='?', const=True, default=False)
+parser.add_argument("-a", dest="add", action="store", help="add results to the database", type=str, metavar="N if sqlite", nargs='?', const=settings['db']['default_sqlite_db'], default=False)
+parser.add_argument("-v", dest="convergence", action="store", help="print calculation convergence", type=bool, metavar="", nargs='?', const=True, default=False)
+parser.add_argument("-f", dest="freqs", action="store", help="print phonons", type=bool, metavar="", nargs='?', const=True, default=False)
+parser.add_argument("-i", dest="info", action="store", help="print tags", type=bool, metavar="", nargs='?', const=True, default=False)
+parser.add_argument("-m", dest="module", action="store", help="invoke a module from the list", nargs='?', const=True, default=False, choices=list(Tilde.Apps.keys()))
+parser.add_argument("-s", dest="structures", action="store", help="print the final lattice and the final atomic structure", type=bool, metavar="", nargs='?', const=True, default=False)
+parser.add_argument("-c", dest="cif", action="store", help="save i-th CIF structure in \"data\" folder", type=int, metavar="i", nargs='?', const=-1, default=False)
+parser.add_argument("-x", dest="service", action="store", help="print total number of items (use to create schema)", type=bool, metavar="", nargs='?', const=True, default=False)
+parser.add_argument("-l", dest="targetlist", action="store", help="file with scan targets", type=str, metavar="file", nargs='?', const=None, default=None)
 args = parser.parse_args()
 
 session = None

utils/gui_server.py

@@ -21,7 +21,7 @@
 
 import chk_tilde_install
 
-from tilde.core.settings import settings
+from tilde.core.settings import settings, GUI_URL_TPL
 from tilde.core.api import API
 from tilde.parsers import HASH_LENGTH
 from tilde.core.common import html_formula, extract_chemical_symbols, str2html, num2name, generate_cif
@@ -336,12 +336,12 @@ def settings(req, client_id, db_session):
  DuplexRouter = SockJSRouter(Connection)
 
  application = web.Application(
- add_redirection(DuplexRouter.urls, settings['gui_url']),
+ add_redirection(DuplexRouter.urls, GUI_URL_TPL % settings['webport']),
  debug = True if logging.getLogger().getEffectiveLevel()==logging.DEBUG or settings['debug_regime'] else False
  )
  application.listen(settings['webport'], address='0.0.0.0')
 
- logging.warning("%s (%s backend) is on the air on port %s" % (CURRENT_TITLE, settings['db']['engine'], settings['webport']))
+ logging.warning("%s (%s backend): http://127.0.0.1:%s" % (CURRENT_TITLE, settings['db']['engine'], settings['webport']))
  logging.warning("Connections are %s" % Connection.Type)
  logging.warning("Press Ctrl+C to quit")