Source Code for Module RDConfig

  1  #  $Id$ 
  2  # 
  3  #  Copyright (C) 2000-2010 Rational Discovery LLC 
  4  # 
  5  #   @@ All Rights Reserved @@ 
  6  #  This file is part of the RDKit. 
  7  #  The contents are covered by the terms of the BSD license 
  8  #  which is included in the file license.txt, found at the root 
  9  #  of the RDKit source tree. 
 10  # 
 11  """ Configuration for the RDKit Python code 
 12   
 13  """ 
 14   
 15  import os, sys 
 16  if 'RDBASE' in os.environ: 
 17    RDBaseDir = os.environ['RDBASE'] 
 18    RDCodeDir = os.path.join(RDBaseDir, 'rdkit') 
 19    RDDataDir = os.path.join(RDBaseDir, 'Data') 
 20    RDDocsDir = os.path.join(RDBaseDir, 'Docs') 
 21    RDDemoDir = os.path.join(RDBaseDir, 'Demo') 
 22    RDBinDir = os.path.join(RDBaseDir, 'bin') 
 23    RDProjDir = os.path.join(RDBaseDir, 'Projects') 
 24    RDContribDir = os.path.join(RDBaseDir, 'Contrib') 
 25  elif 'CONDA_DEFAULT_ENV' in os.environ: 
 26    # we are running in a conda environ. 
 27    RDCodeDir = os.path.dirname(__file__) 
 28    splitdir = RDCodeDir.split(os.path.sep) 
 29    condaDir = splitdir[:-4] 
 30    if condaDir[0] == '': 
 31      condaDir[0] = os.path.sep 
 32    condaDir += ['share', 'RDKit'] 
 33    _share = os.path.join(*condaDir) 
 34    RDDataDir = os.path.join(_share, 'Data') 
 35    RDDocsDir = os.path.join(_share, 'Docs') 
 36    RDProjDir = os.path.join(_share, 'Projects') 
 37    RDContribDir = os.path.join(_share, 'Contrib') 
 38  else: 
 39    from rdkit.RDPaths import * 
 40   
 41  rpcTestPort = 8423 
 42  pythonTestCommand = "python" 
 43   
 44  defaultDBUser = 'sysdba' 
 45  defaultDBPassword = 'masterkey' 
 46   
 47   
 48 -class ObsoleteCodeError(Exception): 
 49    pass 
 50   
 51   
 52 -class UnimplementedCodeError(Exception): 
 53    pass 
 54   
 55  # --------------------- 
 56  # the following block contains stuff used by the 
 57  # testing infrastructure 
 58  if sys.platform == 'win32': 
 59    pythonExe = sys.executable 
 60  else: 
 61    pythonExe = "python" 
 62   
 63  # --------------------- 
 64  # the following block contains stuff controlling database access: 
 65  usePgSQL = False 
 66  useSqlLite = False 
 67  if not os.environ.get('RD_USESQLLITE', ''): 
 68    try: 
 69      from pyPgSQL import PgSQL 
 70      usePgSQL = True 
 71    except ImportError: 
 72      usePgSQL = False 
 73  if not usePgSQL: 
 74    try: 
 75      # python2.5 has this: 
 76      import sqlite3 
 77      useSqlLite = True 
 78    except ImportError: 
 79      try: 
 80        # earlier versions of python: 
 81        from pysqlite2 import dbapi2 
 82        useSqlLite = True 
 83      except ImportError: 
 84        pass 
 85   
 86  if usePgSQL: 
 87    RDTestDatabase = '::RDTests' 
 88    RDDataDatabase = '::RDData' 
 89  elif useSqlLite: 
 90    RDTestDatabase = os.path.join(RDDataDir, "RDTests.sqlt") 
 91    RDDataDatabase = os.path.join(RDDataDir, "RDData.sqlt") 
 92  else: 
 93    RDTestDatabase = None 
 94    RDDataDatabase = None 
 95   
 96  # --------------------- 
 97  # the following block contains stuff controlling the program used for 
 98  #  3D molecular visualization: 
 99  molViewer = os.environ.get('RD_MOLVIEWER', 'PYMOL').upper() 
100