initial commit

Author: yucongalicechen

Diff for: src/diffpy/labpdfproc/tools.py

@@ -7,6 +7,7 @@
     XQUANTITIES,
 )
 from diffpy.utils.tools import (
+    _load_config,
     check_and_build_global_config,
     compute_mud,
     get_package_info,
@@ -159,6 +160,33 @@ def set_input_lists(args):
     return args
 
 
+def _load_wavelength_from_config_file(args):
+    """Load wavelength and anode type from config files.
+    It takes cli inputs first, and local config, and then global config.
+
+    Parameters
+    ----------
+    args : argparse.Namespace
+        The arguments from the parser.
+
+    Returns
+    -------
+    args : argparse.Namespace
+        The updated arguments with the updated wavelength and anode type.
+    """
+    if args.wavelength or args.anode_type:
+        return args
+    global_config = _load_config(Path().home() / "diffpyconfig.json")
+    local_config = _load_config(Path().cwd() / "diffpyconfig.json")
+    if local_config:
+        args.wavelength = local_config.get("wavelength")
+        args.anode_type = local_config.get("anode_type")
+    elif global_config:
+        args.wavelength = global_config.get("wavelength")
+        args.anode_type = global_config.get("anode_type")
+    return args
+
+
 def set_wavelength(args):
     """Set the wavelength based on the given anode_type or wavelength.
 
@@ -185,7 +213,7 @@ def set_wavelength(args):
     args : argparse.Namespace
         The updated arguments with the wavelength.
     """
-    # first load values from config file
+    args = _load_wavelength_from_config_file(args)
     if args.wavelength is None and args.anode_type is None:
         if args.xtype not in ANGLEQUANTITIES:
             raise ValueError(

Diff for: tests/conftest.py

@@ -60,6 +60,7 @@ def user_filesystem(tmp_path):
         f.write(f"{str(input_dir.resolve() / 'good_data.txt')}\n")
 
     home_config_data = {
+        "wavelength": 0.25,
         "owner_name": "home_username",
         "owner_email": "[email protected]",
         "owner_orcid": "home_orcid",

Diff for: tests/test_tools.py

@@ -6,6 +6,7 @@
 
 from diffpy.labpdfproc.labpdfprocapp import get_args
 from diffpy.labpdfproc.tools import (
+    _load_wavelength_from_config_file,
     known_sources,
     load_metadata,
     load_package_info,
@@ -195,6 +196,28 @@ def test_set_output_directory_bad(user_filesystem):
         assert not Path(actual_args.output_directory).is_dir()
 
 
+def test_load_wavelength_from_config_file_with_home_conf_file():
+    # C1: args provided, return args
+    # C2: no args, local config exists, return local config
+    # C3: no args or local config file, return global config
+    return True
+
+
+def test_load_wavelength_from_config_file_with_local_conf_file():
+    # C1: args provided, return args
+    # C2: no args, return local config file
+    # remove global config file to test again
+    return True
+
+
+def test_load_wavelength_from_config_file_without_conf_files(user_filesystem):
+    # C1: args provided, return args
+    cli_inputs = ["2.5", "data.xy", "-w", "0.25"]
+    actual_args = get_args(cli_inputs)
+    actual_args = _load_wavelength_from_config_file(actual_args)
+    assert actual_args.wavelength == 0.25
+
+
 @pytest.mark.parametrize(
     "inputs, expected",
     [