Module RDConfig
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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  elif 'CONDA_DEFAULT_ENV' in os.environ: 
25    # we are running in a conda environ. 
26    RDCodeDir=os.path.dirname(__file__) 
27    splitdir = RDCodeDir.split(os.path.sep) 
28    condaDir = splitdir[:-4] 
29    if condaDir[0]=='': 
30      condaDir[0] = os.path.sep 
31    condaDir += ['share','RDKit'] 
32    _share = os.path.join(*condaDir) 
33    RDDataDir=os.path.join(_share,'Data') 
34    RDDocsDir=os.path.join(_share,'Docs') 
35    RDProjDir=os.path.join(_share,'Projects') 
36  else: 
37    from rdkit.RDPaths import * 
38   
39   
40  rpcTestPort=8423 
41  pythonTestCommand="python" 
42   
43  defaultDBUser='sysdba' 
44  defaultDBPassword='masterkey' 
45   
46 -class ObsoleteCodeError(Exception):
47 pass
48 -class UnimplementedCodeError(Exception):
49 pass
50 51 # --------------------- 52 # the following block contains stuff used by the 53 # testing infrastructure 54 if sys.platform=='win32': 55 pythonExe=sys.executable 56 else: 57 pythonExe="python" 58 59 # --------------------- 60 # the following block contains stuff controlling database access: 61 usePgSQL=False 62 useSqlLite=False 63 if not os.environ.get('RD_USESQLLITE',''): 64 try: 65 from pyPgSQL import PgSQL 66 usePgSQL=True 67 except ImportError: 68 usePgSQL=False 69 if not usePgSQL: 70 try: 71 # python2.5 has this: 72 import sqlite3 73 useSqlLite=True 74 except ImportError: 75 try: 76 # earlier versions of python: 77 from pysqlite2 import dbapi2 78 useSqlLite=True 79 except ImportError: 80 pass 81 82 if usePgSQL: 83 RDTestDatabase='::RDTests' 84 RDDataDatabase='::RDData' 85 elif useSqlLite: 86 RDTestDatabase=os.path.join(RDDataDir,"RDTests.sqlt") 87 RDDataDatabase=os.path.join(RDDataDir,"RDData.sqlt") 88 else: 89 RDTestDatabase=None 90 RDDataDatabase=None 91 92 # --------------------- 93 # the following block contains stuff controlling the program used for 94 # 3D molecular visualization: 95 molViewer=os.environ.get('RD_MOLVIEWER','PYMOL').upper() 96