fix: tweak TTH_GRID and add back check_and_build_global_config

Author: yucongalicechen

src/diffpy/labpdfproc/functions.py

@@ -9,7 +9,9 @@
 
 RADIUS_MM = 1
 N_POINTS_ON_DIAMETER = 300
-TTH_GRID = np.round(np.arange(1, 180.1, 0.1), decimals=1)
+TTH_GRID = np.arange(1, 180.1, 0.1)
+# Round down the last element if it's slightly above 180 due to floating point precision
+TTH_GRID[-1] = 180
 CVE_METHODS = ["brute_force", "polynomial_interpolation"]
 
 # pre-computed datasets for polynomial interpolation (fast calculation)

src/diffpy/labpdfproc/tools.py

@@ -2,7 +2,7 @@
 from pathlib import Path
 
 from diffpy.utils.diffraction_objects import ANGLEQUANTITIES, QQUANTITIES, XQUANTITIES
-from diffpy.utils.tools import compute_mud, get_package_info, get_user_info
+from diffpy.utils.tools import check_and_build_global_config, compute_mud, get_package_info, get_user_info
 
 WAVELENGTHS = {"Mo": 0.71, "Ag": 0.59, "Cu": 1.54}
 known_sources = [key for key in WAVELENGTHS.keys()]
@@ -237,6 +237,7 @@ def load_user_info(args):
     the updated argparse Namespace with username and email inserted
 
     """
+    check_and_build_global_config()
     config = get_user_info(owner_name=args.username, owner_email=args.email)
     args.username = config["owner_name"]
     args.email = config["owner_email"]