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kclust.py

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  • ost_startup.py 2.80 KiB
    import sys, os, platform
    import optparse
    
    def show_help(option, opt, value, parser):
      parser.print_help()
      sys.exit(-1)
    
    def interactive_flag(option, opt, value, parser):
      pass
    
    def stop():
      sys.exit(0)
    
    usage = 'usage: ost [ost options] [script to execute] [script parameters]'
    class OstOptionParser(optparse.OptionParser):
      def __init__(self, **kwargs):
        optparse.OptionParser.__init__(self, **kwargs)
      def exit(self, status_code, error_message):
        print error_message,
        sys.exit(-1)
    
    parser=OstOptionParser(usage=usage,conflict_handler="resolve", prog='ost''')
    parser.add_option("-i", "--interactive", action="callback", callback=interactive_flag, help="start interpreter interactively (must be first parameter, ignored otherwise)")
    parser.add_option("-h", "--help", action="callback", callback=show_help, help="show this help message and exit")
    parser.add_option("-v", "--verbosity_level", action="store", type="int", dest="vlevel", default=2, help="sets the verbosity level [default: %default]")
    parser.disable_interspersed_args()
    (options, args) = parser.parse_args()
    
    _site_packs='python%d.%d/site-packages' % sys.version_info[0:2]
    _base_dir=os.getenv('DNG_ROOT')
    if platform.machine()=='x86_64':
      sys.path.insert(0, os.path.join(_base_dir, 'lib64', _site_packs))
    else:
      sys.path.insert(0,os.path.join(_base_dir, 'lib', _site_packs))
         
    from ost import *
    import ost
    
    ost.SetPrefixPath(_base_dir)
    def _InitRuleBasedBuilder():
      compound_lib_path=os.path.join(ost.GetSharedDataPath(), 'compounds.chemlib')
      if os.path.exists(compound_lib_path):
        compound_lib=conop.CompoundLib.Load(compound_lib_path)
        conop.RegisterBuilder(conop.RuleBasedBuilder(compound_lib), 'RBB')
        conop.SetDefaultBuilder('RBB')
    
    # switch to rule-based builder for high fidelity if compounds.chemlib is 
    # available
    _InitRuleBasedBuilder()
    import os.path
    HistoryFile=os.path.expanduser('~/.ost_history')
    
    # we are not in GUI mode. 
    gui_mode=False
    
    sys.ps1='ost> '
    sys.ps2='..... '
    sys.argv=sys.argv[1:]
    home = os.getenv('HOME') or os.getenv('USERPROFILE')
    _ostrc=os.path.join(home, '.ostrc')
    if os.path.exists(_ostrc):
      try:
        exec(open(_ostrc))
      except Exception, e:
        print e
    else:
      rcfile=open(_ostrc,"w")
      print >> rcfile, '# This python file is parsed by ost and dng at startup'
      print >> rcfile, '# Its content is be made available in the global namespace'
      print >> rcfile, '# It can be used to define custom variables and functions'
      print >> rcfile, '# For example:'
      print >> rcfile, '# IMPORTANT_DIR="path/to/important/dir"'
      rcfile.close()
    
    PushVerbosityLevel(options.vlevel)
    
    # this should probably only be added when running an interactive shell
    sys.path.append(".")
    
    if len(parser.rargs)>0 :
      script=parser.rargs[0]	
      sys_argv_backup=sys.argv
      sys.argv=parser.rargs
      try:
        execfile(script)
      finally:
        sys.argv=sys_argv_backup