def main(): parser = argparse.ArgumentParser(epilog=str_examples(), formatter_class=argparse.RawDescriptionHelpFormatter) parser.add_argument('filepath', nargs="?", help="File to inspect (output file or log file)") # Create the parsers for the sub-commands subparsers = parser.add_subparsers(dest='command', help='sub-command help', description="Valid subcommands") # Subparser for status command. p_status = subparsers.add_parser('status', help="Check the status of the run (errors, warning, completion)") #p_status.add_argument('format', nargs="?", default="cif", type=str, help="Format of the output file (ciff, POSCAR, json).") # Subparser for plot command. p_plot = subparsers.add_parser('plot', help="Plot data") #p_plot.add_argument('visualizer', nargs="?", default="xcrysden", type=str, help="Visualizer.") p_timer = subparsers.add_parser('timer', help="Show timing data.") # Parse command line. try: options = parser.parse_args() except: show_examples_and_exit(error_code=1) if options.command == "status": # Parse the Abinit Events in filepath. parser = EventsParser() report = parser.parse(options.filepath) print(report) elif options.command == "plot": # TODO: At present only GS runs are supported by plottable_from_outfile obj = plottable_from_outfile(options.filepath) if obj is not None: obj.plot() else: raise ValueError("Don't know how to extract plottable data from %s" % options.filepath) elif options.command == "timer": parser = AbinitTimerParser() parser.parse(options.filepath) parser.show_pie(key="wall_time", minfract=0.05) else: raise ValueError("Unsupported command %s" % options.command) return 0
def read_mainlog_ewc(self): """ Read errors, warnings and comments from the main output and the log file. :return: Two namedtuple instances: main, log. The lists of strings with the corresponding messages are available in main.errors, main.warnings, main.comments, log.errors etc. """ from pymatgen.io.abinitio.events import EventsParser parser = EventsParser() main_events = parser.parse(self.last_output()) log_events = parser.parse(self.log_name) return main_events, log_events
def __init__(self, parent, filepath, **kwargs): super(AbinitEventsPanel, self).__init__(parent, -1, **kwargs) self.filepath = os.path.abspath(filepath) parser = EventsParser() self.events = events = parser.parse(self.filepath) main_sizer = wx.BoxSizer(wx.VERTICAL) vbox = wx.BoxSizer(wx.VERTICAL) panel1 = awx.Panel(self, -1) panel2 = awx.Panel(self, -1) self.tree = tree = wx.TreeCtrl(panel1, 1, wx.DefaultPosition, (-1, -1), wx.TR_HIDE_ROOT | wx.TR_HAS_BUTTONS) root = self.tree.AddRoot('Events') err_tree = tree.AppendItem(root, "%d Errors" % events.num_errors) warn_tree = tree.AppendItem(root, "%d Warnings" % events.num_warnings) com_tree = tree.AppendItem(root, "%d Comments" % events.num_comments) for e in self.events.errors: tree.AppendItem(err_tree, "line: " + str(e.lineno), data=wx.TreeItemData(e.message)) for w in self.events.warnings: tree.AppendItem(warn_tree, "line: " + str(w.lineno), data=wx.TreeItemData(w.message)) for c in self.events.comments: tree.AppendItem(com_tree, "line: " + str(c.lineno), data=wx.TreeItemData(c.message)) tree.Bind(wx.EVT_TREE_SEL_CHANGED, self.OnSelChanged, id=1) self.display = wx.StaticText(panel2, -1, '', (10, 10), style=wx.ALIGN_LEFT) vbox.Add(self.tree, 1, wx.EXPAND) main_sizer.Add(panel1, 1, wx.EXPAND) main_sizer.Add(panel2, 1, wx.EXPAND) panel1.SetSizerAndFit(vbox) self.SetSizerAndFit(main_sizer) self.Centre()
def main(): def str_examples(): examples = """ Usage example:\n abiinsp.py OUTFILE status ==> Report the list of Warning, Commments, Errors abiinsp.py OUTFILE plot ==> Plot results of the GS Scf cycle, Phonon Scf cycle... abiinsp.py OUTFILE timer ==> Visualize timing data with matplotlib. """ return examples def show_examples_and_exit(err_msg=None, error_code=1): """Display the usage of the script.""" sys.stderr.write(str_examples()) if err_msg: sys.stderr.write("Fatal Error\n" + err_msg + "\n") sys.exit(error_code) parser = argparse.ArgumentParser(epilog=str_examples(), formatter_class=argparse.RawDescriptionHelpFormatter) parser.add_argument('filepath', nargs="?", help="File to inspect (output file or log file)") # Create the parsers for the sub-commands subparsers = parser.add_subparsers(dest='command', help='sub-command help', description="Valid subcommands") # Subparser for status command. p_status = subparsers.add_parser('status', help="Check the status of the run (errors, warning, completion)") #p_status.add_argument('format', nargs="?", default="cif", type=str, help="Format of the output file (ciff, POSCAR, json).") # Subparser for plot command. p_plot = subparsers.add_parser('plot', help="Plot data") #p_plot.add_argument('visualizer', nargs="?", default="xcrysden", type=str, help="Visualizer.") subparsers.add_parser('timer', help="Show timing data.") subparsers.add_parser('pseudo', help="Show info on pseudopotential file.") # Parse command line. try: options = parser.parse_args() except: show_examples_and_exit(error_code=1) if options.command == "status": # Parse the Abinit Events in filepath. parser = EventsParser() report = parser.parse(options.filepath) print(report) elif options.command == "plot": # TODO: At present only GS runs are supported by plottable_from_outfile obj = plottable_from_outfile(options.filepath) if obj is not None: obj.plot() else: raise ValueError("Don't know how to extract plottable data from %s" % options.filepath) elif options.command == "timer": parser = AbinitTimerParser() parser.parse(options.filepath) #parser.show_pie(key="wall_time", minfract=0.05) #parser.show_efficiency), #parser.show_stacked_hist), elif options.command == "pseudo": from pymatgen.io.abinitio.pseudos import PseudoParser pseudo = PseudoParser().parse(options.filepath) print(pseudo) else: raise ValueError("Unsupported command %s" % options.command) return 0
def main(): def str_examples(): examples = """ Usage example:\n abiinsp.py OUTFILE status ==> Report the list of Warning, Commments, Errors abiinsp.py OUTFILE plot ==> Plot results of the GS Scf cycle, Phonon Scf cycle... abiinsp.py OUTFILE timer ==> Visualize timing data with matplotlib. """ return examples def show_examples_and_exit(err_msg=None, error_code=1): """Display the usage of the script.""" sys.stderr.write(str_examples()) if err_msg: sys.stderr.write("Fatal Error\n" + err_msg + "\n") sys.exit(error_code) parser = argparse.ArgumentParser( epilog=str_examples(), formatter_class=argparse.RawDescriptionHelpFormatter) parser.add_argument('filepath', nargs="?", help="File to inspect (output file or log file)") # Create the parsers for the sub-commands subparsers = parser.add_subparsers(dest='command', help='sub-command help', description="Valid subcommands") # Subparser for status command. p_status = subparsers.add_parser( 'status', help="Check the status of the run (errors, warning, completion)") #p_status.add_argument('format', nargs="?", default="cif", type=str, help="Format of the output file (ciff, POSCAR, json).") # Subparser for plot command. p_plot = subparsers.add_parser('plot', help="Plot data") #p_plot.add_argument('visualizer', nargs="?", default="xcrysden", type=str, help="Visualizer.") subparsers.add_parser('timer', help="Show timing data.") subparsers.add_parser('pseudo', help="Show info on pseudopotential file.") # Parse command line. try: options = parser.parse_args() except: show_examples_and_exit(error_code=1) if options.command == "status": # Parse the Abinit Events in filepath. parser = EventsParser() report = parser.parse(options.filepath) print(report) elif options.command == "plot": # TODO: At present only GS runs are supported by plottable_from_outfile obj = plottable_from_outfile(options.filepath) if obj is not None: obj.plot() else: raise ValueError( "Don't know how to extract plottable data from %s" % options.filepath) elif options.command == "timer": parser = AbinitTimerParser() parser.parse(options.filepath) #parser.show_pie(key="wall_time", minfract=0.05) #parser.show_efficiency), #parser.show_stacked_hist), elif options.command == "pseudo": from pymatgen.io.abinitio.pseudos import PseudoParser pseudo = PseudoParser().parse(options.filepath) print(pseudo) else: raise ValueError("Unsupported command %s" % options.command) return 0