Adds Extra Parameter to Logs and Updates Version Variable

crystalpol/__main__.py

@@ -1,19 +1,19 @@
+from crystalpol import VERSION
 from crystalpol.polarization import Polarization
 from crystalpol.shared.config import Config
 from crystalpol.shared.utils.log import Log
 
-from yaml.loader import SafeLoader
-from pathlib import Path
 import setproctitle
+import yaml
+from yaml.loader import SafeLoader
+
 import argparse
 import logging
-import yaml
 import os
+from pathlib import Path
 
-
-__VERSION = "v0.0.1"
 os.nice(+19)
-setproctitle.setproctitle("crystalpol-{}".format(__VERSION))
+setproctitle.setproctitle("crystalpol-{}".format(VERSION))
 
 
 def main():
@@ -24,28 +24,31 @@ def main():
 
     parser = argparse.ArgumentParser(prog="CrystalPol")
     parser.add_argument(
-        "-v", "--version", action="version", version=f"crystalpol-{__VERSION}"
+        "-v", "--version", action="version", version=f"crystalpol-{VERSION}"
     )
     parser.add_argument(
-        "-c", "--config",
+        "-c",
+        "--config",
         dest="config",
         default="config.yml",
         metavar="INFILE",
-        help="Config file of crystalpol [default = config.yml]"
+        help="Config file of crystalpol [default = config.yml]",
     )
     parser.add_argument(
-        "-i", "--input",
+        "-i",
+        "--input",
         dest="infile",
         default="crystal.xyz",
         metavar="INFILE",
-        help="Input file of crystalpol [default = crystal.xyz]"
+        help="Input file of crystalpol [default = crystal.xyz]",
     )
     parser.add_argument(
-        "-o", "--output",
+        "-o",
+        "--output",
         dest="outfile",
         default="run.log",
         metavar="OUTFILE",
-        help="Output file of crystalpol [default = run.log]"
+        help="Output file of crystalpol [default = run.log]",
     )
     args = parser.parse_args()
 
@@ -53,20 +56,16 @@ def main():
     if log_file.exists():
         log_file.rename(log_file.with_suffix(".log.backup"))
 
-    logging.basicConfig(
-        filename=args.outfile,
-        format='%(message)s',
-        level=logging.INFO
-    )
+    logging.basicConfig(filename=args.outfile, format="%(message)s", level=logging.INFO)
 
     try:
         with open(args.config) as file:
             data = yaml.load(file, Loader=SafeLoader)
-            config = Config(**data.get('crystal_pol'))
+            config = Config(**data.get("crystal_pol"))
     except IOError:
-        raise RuntimeError('Invalid or Missing Config File.')
+        raise RuntimeError("Invalid or Missing Config File.")
 
-    Log.make_header(__VERSION, config.to_dict())
+    Log.make_header(VERSION, config.to_dict())
 
     pol = Polarization(args.infile, args.outfile, config)
     pol.run()