Merge pull request #670 from vue1999/parser-help

List default arguments with --help
ACEsuit · Nov 4, 2024 · c1184eb · c1184eb
2 parents 29c99ae + 35c7de6
commit c1184eb
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Showing 6 changed files with 23 additions and 7 deletions.
diff --git a/mace/cli/active_learning_md.py b/mace/cli/active_learning_md.py
@@ -14,7 +14,9 @@
 
 
 def parse_args() -> argparse.Namespace:
-    parser = argparse.ArgumentParser()
+    parser = argparse.ArgumentParser(
+        formatter_class=argparse.ArgumentDefaultsHelpFormatter,
+    )
     parser.add_argument("--config", help="path to XYZ configurations", required=True)
     parser.add_argument(
         "--config_index", help="index of configuration", type=int, default=-1

diff --git a/mace/cli/create_lammps_model.py b/mace/cli/create_lammps_model.py
@@ -7,7 +7,9 @@
 
 
 def parse_args():
-    parser = argparse.ArgumentParser()
+    parser = argparse.ArgumentParser(
+        formatter_class=argparse.ArgumentDefaultsHelpFormatter,
+    )
     parser.add_argument(
         "model_path",
         type=str,

diff --git a/mace/cli/eval_configs.py b/mace/cli/eval_configs.py
@@ -16,7 +16,9 @@
 
 
 def parse_args() -> argparse.Namespace:
-    parser = argparse.ArgumentParser()
+    parser = argparse.ArgumentParser(
+        formatter_class=argparse.ArgumentDefaultsHelpFormatter,
+    )
     parser.add_argument("--configs", help="path to XYZ configurations", required=True)
     parser.add_argument("--model", help="path to model", required=True)
     parser.add_argument("--output", help="output path", required=True)

diff --git a/mace/cli/fine_tuning_select.py b/mace/cli/fine_tuning_select.py
@@ -20,7 +20,9 @@
 
 
 def parse_args() -> argparse.Namespace:
-    parser = argparse.ArgumentParser()
+    parser = argparse.ArgumentParser(
+        formatter_class=argparse.ArgumentDefaultsHelpFormatter,
+    )
     parser.add_argument(
         "--configs_pt",
         help="path to XYZ configurations for the pretraining",

diff --git a/mace/cli/plot_train.py b/mace/cli/plot_train.py
@@ -60,7 +60,10 @@ def parse_training_results(path: str) -> List[dict]:
 
 
 def parse_args() -> argparse.Namespace:
-    parser = argparse.ArgumentParser(description="Plot mace training statistics")
+    parser = argparse.ArgumentParser(
+        description="Plot mace training statistics",
+        formatter_class=argparse.ArgumentDefaultsHelpFormatter,
+    )
     parser.add_argument(
         "--path", help="path to results file or directory", required=True
     )

diff --git a/mace/tools/arg_parser.py b/mace/tools/arg_parser.py
@@ -15,6 +15,7 @@ def build_default_arg_parser() -> argparse.ArgumentParser:
 
         parser = configargparse.ArgumentParser(
             config_file_parser_class=configargparse.YAMLConfigFileParser,
+            formatter_class=argparse.ArgumentDefaultsHelpFormatter,
         )
         parser.add(
             "--config",
@@ -23,7 +24,9 @@ def build_default_arg_parser() -> argparse.ArgumentParser:
             help="config file to agregate options",
         )
     except ImportError:
-        parser = argparse.ArgumentParser()
+        parser = argparse.ArgumentParser(
+            formatter_class=argparse.ArgumentDefaultsHelpFormatter,
+        )
 
     # Name and seed
     parser.add_argument("--name", help="experiment name", required=True)
@@ -704,7 +707,9 @@ def build_default_arg_parser() -> argparse.ArgumentParser:
 
 
 def build_preprocess_arg_parser() -> argparse.ArgumentParser:
-    parser = argparse.ArgumentParser()
+    parser = argparse.ArgumentParser(
+        formatter_class=argparse.ArgumentDefaultsHelpFormatter,
+    )
     parser.add_argument(
         "--train_file",
         help="Training set h5 file",