import sys, os, platform import optparse interactive=False 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() if platform.machine()=='x86_64': sys.path.insert(0, os.getenv('DNG_ROOT')+'/lib64/openstructure') else: sys.path.insert(0,os.getenv('DNG_ROOT')+'/lib/openstructure') from ost import * import ost ost.SetPrefixPath(os.getenv('DNG_ROOT')) 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') InGUIMode=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) 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