Source Code for Module RDConfig

  1  #  $Id: RDConfig.py 997 2009-02-25 06:12:43Z glandrum $ 
  2  # 
  3  #  Copyright (C) 2000-2006 Rational Discovery LLC 
  4  # 
  5  #   @@ All Rights Reserved  @@ 
  6  # 
  7  """ Configuration for Rational Discovery's Python code 
  8   
  9  """ 
 10   
 11  import os,sys 
 12  try: 
 13    RDBaseDir=os.environ['RDBASE'] 
 14  except: 
 15    RDBaseDir='d:/RD'   
 16  RDCodeDir=os.path.join(RDBaseDir,'rdkit') 
 17  RDImageDir=os.path.join(RDCodeDir,'qtGui','Images')  # images used within the GUI tools 
 18  RDDataDir=os.path.join(RDBaseDir,'Data') 
 19  RDDocsDir=os.path.join(RDBaseDir,'Docs') 
 20  RDDemoDir=os.path.join(RDBaseDir,'Demo') 
 21  RDBinDir=os.path.join(RDBaseDir,'bin') 
 22  RDProjDir=os.path.join(RDBaseDir,'Projects') 
 23  #if not os.environ.has_key('OE_DIR') or os.environ['OE_DIR']=='': 
 24  #  os.environ['OE_DIR'] = RDDataDir 
 25   
 26   
 27  if os.environ.has_key('RDDGEOM'): 
 28    dgeomLoc=os.environ['RDDGEOM'] 
 29  else: 
 30    if sys.platform=='win32': 
 31      binName = 'dgeom.exe' 
 32    else: 
 33      binName = 'dgeom' 
 34    dgeomLoc=os.path.join(RDBinDir,binName) 
 35   
 36  if os.environ.has_key('RDTINKER'): 
 37    tinkerPath=os.environ['RDTINKER'] 
 38  else: 
 39    if sys.platform=='win32': 
 40      tinkerPath = '' 
 41    else: 
 42      tinkerPath = '/usr/local/src/tinker' 
 43  tinkerBin = '%s/bin'%(tinkerPath) 
 44  tinkerParams = '%s/params'%(tinkerPath) 
 45   
 46  try: 
 47    doingDemo=os.environ['RDDEMO'] 
 48    if doingDemo=='0': doingDemo=0 
 49  except: 
 50    doingDemo=0 
 51   
 52  try: 
 53    largeFont=os.environ['RDLARGEFONT'] 
 54  except: 
 55    largeFont=0 
 56   
 57  RDFont=None 
 58  logGui=0 
 59   
 60  rpcTestPort=8423 
 61  pythonTestCommand="python" 
 62   
 63  defaultDBUser='sysdba' 
 64  defaultDBPassword='masterkey' 
 65   
 66   
 67  import exceptions 
 68 -class ObsoleteCodeError(exceptions.Exception): 
 69    pass 
 70 -class UnimplementedCodeError(exceptions.Exception): 
 71    pass 
 72   
 73  # --------------------- 
 74  # the following block contains stuff used by the 
 75  # testing infrastructure 
 76  if sys.platform=='win32': 
 77    pythonExe=os.path.join(os.environ.get('PYTHONHOME','c:/python25'),'python.exe') 
 78    spawn = os.spawnve 
 79  else: 
 80    pythonExe="python" 
 81    spawn = os.spawnvpe 
 82   
 83  # --------------------- 
 84  # the following block contains stuff controlling database access: 
 85  #usePgSQL=1 
 86  usePgSQL=0 
 87  useSqlLite=0 
 88  if not (os.environ.has_key('RD_USEGVIB') and os.environ['RD_USEGVIB']): 
 89    if not os.environ.get('RD_USESQLLITE',''): 
 90      try: 
 91        from pyPgSQL import PgSQL 
 92        usePgSQL=1 
 93      except ImportError: 
 94        usePgSQL=0 
 95        try: 
 96          # python2.5 has this: 
 97          import sqlite3 
 98          useSqlLite=True 
 99        except ImportError: 
100          try: 
101            # earlier versions of python: 
102            from pysqlite2 import dbapi2 
103            useSqlLite=True 
104          except: 
105            pass 
106    else: 
107      useSqlLite=True 
108  else: 
109    usePgSQL=0 
110   
111  if usePgSQL: 
112    RDTestDatabase='::RDTests' 
113    RDDataDatabase='::RDData' 
114  elif useSqlLite: 
115    RDTestDatabase=os.path.join(RDDataDir,"RDTests.sqlt") 
116    RDDataDatabase=os.path.join(RDDataDir,"RDData.sqlt") 
117  else:   
118    RDTestDatabase=os.path.join(RDDataDir,"RDTests.gdb") 
119    RDDataDatabase=os.path.join(RDDataDir,"RDData.gdb") 
120   
121  # --------------------- 
122  # the following block contains stuff controlling the program used for 
123  #  3D molecular visualization: 
124  molViewer=os.environ.get('RD_MOLVIEWER','PYMOL').upper() 
125