batplot 1.8.6__py3-none-any.whl → 1.8.11__py3-none-any.whl

batplot/__init__.py

@@ -1,5 +1,5 @@
 """batplot: Interactive plotting for battery data visualization."""
 
-__version__ = "1.8.6"
+__version__ = "1.8.11"
 
 __all__ = ["__version__"]

batplot/batplot.py

@@ -2763,7 +2763,17 @@ def batplot_main() -> int:
         any_cif = any(f.lower().endswith(".cif") for f in args.files)
         non_cif_count = sum(0 if f.lower().endswith('.cif') else 1 for f in args.files)
         cif_only = any_cif and non_cif_count == 0
-        any_lambda = any(":" in f for f in args.files) or args.wl is not None
+        # Check for wavelength parameters (file:wl), but exclude Windows drive letters (C:\...)
+        def has_wavelength_param(f):
+            if ":" not in f:
+                return False
+            # Check if it's a Windows path (single letter followed by :\ or :/)
+            if len(f) >= 2 and f[1] == ':' and len(f[0]) == 1 and f[0].isalpha():
+                # This is a Windows drive letter, check after the drive path
+                # Look for additional colons beyond the drive letter
+                return ":" in f[2:]
+            return True
+        any_lambda = any(has_wavelength_param(f) for f in args.files) or args.wl is not None
 
         # Incompatibilities (no mixing of fundamentally different axis domains)
         if sum(bool(x) for x in (any_gr, any_nor, any_chik, any_chir, (any_qye or any_lambda or any_cif))) > 1:
@@ -2896,8 +2906,16 @@ def batplot_main() -> int:
     
     # Use data_files instead of args.files for processing
     for idx_file, file_entry in enumerate(data_files):
+        # Handle Windows paths (C:\...) vs wavelength parameters (file:wl)
+        # On Windows, check if first part is a single letter (drive letter)
         parts = file_entry.split(":")
-        fname = parts[0]
+        if len(parts) > 1 and len(parts[0]) == 1 and parts[0].isalpha():
+            # Windows drive letter detected (e.g., "C" from "C:\path")
+            # Rejoin the first two parts as the filename
+            fname = parts[0] + ":" + parts[1]
+            parts = [fname] + parts[2:]  # Reconstruct parts with full Windows path
+        else:
+            fname = parts[0]
         # Parse wavelength parameters: file:wl1 or file:wl1:wl2 or file.cif:wl
         wavelength_file = None
         original_wavelength = None  # First wavelength (for Q conversion)
@@ -3081,16 +3099,35 @@ def batplot_main() -> int:
             # Step 2: Convert Q back to 2theta using second wavelength
             # Q = 4π sin(θ) / λ => sin(θ) = Qλ / (4π) => θ = arcsin(Qλ / (4π))
             sin_theta = Q * conversion_wavelength / (4 * np.pi)
-            # Clamp to valid range [-1, 1]
-            sin_theta = np.clip(sin_theta, -1.0, 1.0)
+            # Check for physically impossible Q values (would require sin(θ) > 1)
+            valid_mask = np.abs(sin_theta) <= 1.0
+            if not np.all(valid_mask):
+                # Some Q values are too high for the target wavelength
+                n_invalid = np.sum(~valid_mask)
+                q_max_possible = 4 * np.pi / conversion_wavelength
+                print(f"Warning: {n_invalid} data points exceed Q_max={q_max_possible:.2f} Å⁻¹ for λ={conversion_wavelength} Å")
+                print(f"         Truncating data to physically accessible range.")
+            # Truncate to valid range instead of clipping (which creates artificial data)
+            x = x[valid_mask]
+            y = y[valid_mask]
+            sin_theta = sin_theta[valid_mask]
             theta_new_rad = np.arcsin(sin_theta)
             x_plot = np.degrees(2 * theta_new_rad)
         elif use_2th and file_ext == ".qye" and wavelength_file:
             # Convert Q to 2theta for .qye files when wavelength is provided
             # Q = 4π sin(θ) / λ => sin(θ) = Qλ / (4π) => θ = arcsin(Qλ / (4π))
             sin_theta = x * wavelength_file / (4 * np.pi)
-            # Clamp to valid range [-1, 1]
-            sin_theta = np.clip(sin_theta, -1.0, 1.0)
+            # Check for physically impossible Q values
+            valid_mask = np.abs(sin_theta) <= 1.0
+            if not np.all(valid_mask):
+                n_invalid = np.sum(~valid_mask)
+                q_max_possible = 4 * np.pi / wavelength_file
+                print(f"Warning: {n_invalid} data points exceed Q_max={q_max_possible:.2f} Å⁻¹ for λ={wavelength_file} Å")
+                print(f"         Truncating data to physically accessible range.")
+            # Truncate to valid range
+            x = x[valid_mask]
+            y = y[valid_mask]
+            sin_theta = sin_theta[valid_mask]
             theta_rad = np.arcsin(sin_theta)
             x_plot = np.degrees(2 * theta_rad)
         elif use_Q and file_ext not in (".qye", ".gr", ".nor"):

batplot/converters.py

@@ -224,7 +224,8 @@ def convert_xrd_data(filenames, from_param: str, to_param: str):
         
         # Save converted data
         try:
-            np.savetxt(output_fname, out_data, fmt="% .6f", header=header)
+            # Use UTF-8 encoding to support Greek letters (θ) in headers on all platforms
+            np.savetxt(output_fname, out_data, fmt="% .6f", header=header, encoding='utf-8')
             print(f"Saved {output_fname}")
         except Exception as e:
             print(f"Error saving {output_fname}: {e}")

batplot/interactive.py

@@ -1590,6 +1590,12 @@ def interactive_menu(fig, ax, y_data_list, x_data_list, labels, orig_y,
                     plt.rcParams['font.size'] = snap["font_size"]
                 except Exception:
                     pass
+            # Apply restored font settings to all existing text objects
+            # This ensures labels, tick labels, etc. update to match restored font size/family
+            try:
+                sync_fonts()
+            except Exception:
+                pass
 
             # Figure size & dpi
             if snap.get("fig_size") and isinstance(snap["fig_size"], (list, tuple)) and len(snap["fig_size"])==2:
@@ -1813,22 +1819,13 @@ def interactive_menu(fig, ax, y_data_list, x_data_list, labels, orig_y,
                 except Exception:
                     pass
             
-            # Recalculate y_data_list from orig_y and offsets_list to ensure consistency
-            # Ensure lists have the same length before assigning
-            max_len = max(len(orig_y), len(y_data_list), len(offsets_list))
-            while len(orig_y) < max_len:
-                orig_y.append(np.array([]))
-            while len(y_data_list) < max_len:
-                y_data_list.append(np.array([]))
-            while len(offsets_list) < max_len:
-                offsets_list.append(0.0)
-            for i in range(len(orig_y)):
-                if i < len(offsets_list):
-                    y_data_list[i] = orig_y[i] + offsets_list[i]
-                else:
-                    y_data_list[i] = orig_y[i].copy() if orig_y[i].size > 0 else np.array([])
+            # DON'T recalculate y_data_list - trust the snapshotted data to avoid offset drift
+            # The snapshot already captured the correct y_data_list with offsets applied.
+            # Recalculating from orig_y + offsets_list can introduce floating-point errors
+            # or inconsistencies if the data underwent transformations (normalize, etc.)
             
-            # Update line data with restored values
+            # Update line data with restored values from snapshot
+            # This ensures line visual data matches the snapshotted data lists exactly
             for i in range(min(len(ax.lines), len(x_data_list), len(y_data_list))):
                 try:
                     ax.lines[i].set_data(x_data_list[i], y_data_list[i])

{batplot-1.8.6.dist-info → batplot-1.8.11.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: batplot
-Version: 1.8.6
+Version: 1.8.11
 Summary: Interactive plotting tool for material science (1D plot) and electrochemistry (GC, CV, dQ/dV, CPC, operando) with batch processing
 Author-email: Tian Dai <tianda@uio.no>
 License: MIT License

{batplot-1.8.6.dist-info → batplot-1.8.11.dist-info}/RECORD

@@ -1,15 +1,15 @@
-batplot/__init__.py,sha256=Fy71HWPcaheFTg920KgEZ7reiHA27RQ-B6mxzpc8ZbI,118
+batplot/__init__.py,sha256=XfA6rl6BPWzT0v4kl1_Zl94wmGALHRaHjeHPTbvpPL4,119
 batplot/args.py,sha256=DGTe2PKmJnI8Iq12QgO76V8lZvWhMOqY14gsyE5SgEs,37001
 batplot/batch.py,sha256=hqLNvd88OLd0PLo_ot6JjC3FM6wwxCJ1jO2J63f9Zyg,55899
-batplot/batplot.py,sha256=zD9kTLMKzYf73Ptn8jTOSeYZbxFzxlKxtrAE6bFHHNQ,187980
+batplot/batplot.py,sha256=7gZNxkkm85uhZn4ZjP_h_SimXrNcp4Ldc10MCPQMOQk,190241
 batplot/cif.py,sha256=JfHwNf3SHrcpALc_F5NjJmQ3lg71MBRSaIUJjGYPTx8,30120
 batplot/cli.py,sha256=2-7NtxBlyOUfzHVwP7vZK7OZlyKyPVy-3daKN-MPWyU,6657
 batplot/color_utils.py,sha256=7InQLVo1XTg7sgAbltM2KeDSFJgr787YEaV9vJbIoWY,20460
 batplot/config.py,sha256=6nGY7fKN4T5KZUGQS2ArUBgEkLAL0j37XwG5SCVQgKA,6420
-batplot/converters.py,sha256=c4qhgN9zHUiBZhXVAdf0zGtPPoktD3JjMLkhjjYEwlk,9787
+batplot/converters.py,sha256=o9tSuFmTK7VOdg-VMquPJbAyhP_vnBYcIWJF7wSA3HE,9896
 batplot/cpc_interactive.py,sha256=pPx6B8IN9YYnc7TWJnTV_2ZxcotCBXD29Db7G7ool-4,247355
 batplot/electrochem_interactive.py,sha256=Ui1_E-oTNvk7bKossx1MyULNHosFMFnl2a_EAOE550E,225991
-batplot/interactive.py,sha256=BTcr8ZtmWdID4uKiDA7KW72p9tfaC6sNhMZvhVA6py0,311985
+batplot/interactive.py,sha256=Xk8N5FAC0bJMxBlw4V6Ne18QLQtaihJuqWZyVokIvCM,311953
 batplot/manual.py,sha256=pbRI6G4Pm12pOW8LrOLWWu7IEOtqWN3tRHtgge50LlA,11556
 batplot/modes.py,sha256=BajbnDzzYRD-FRr5Hoft0TyQ5CTWyggJjKa9yrM6iy4,37376
 batplot/operando.py,sha256=h09xu1BsdR68YlzhWeUSypYX83DzjJABIQQS2noQzPI,29400
@@ -22,7 +22,7 @@ batplot/ui.py,sha256=ifpbK74juUzLMCt-sJGVaWtpDb1NMRJzs2YyiwwafzY,35302
 batplot/utils.py,sha256=LY2-Axr3DsQMTxuXe48vSjrLJKEnkzkZjdSFdQizbpg,37599
 batplot/version_check.py,sha256=--U_74DKgHbGtVdBsg9DfUJ10S5-OMXT-rzaYjK0JBc,9997
 batplot/data/USER_MANUAL.md,sha256=w6pmDXoLINFkCWWh3zay7uNIxUaDxSOrocnPIZwu2uA,19542
-batplot-1.8.6.dist-info/licenses/LICENSE,sha256=2PAnHeCiTfgI7aKZLWr0G56HI9fGKQ0CEbQ02H-yExQ,1065
+batplot-1.8.11.dist-info/licenses/LICENSE,sha256=2PAnHeCiTfgI7aKZLWr0G56HI9fGKQ0CEbQ02H-yExQ,1065
 batplot_backup_20251121_223043/__init__.py,sha256=3s2DUQuTbWs65hoN9cQQ8IiJbaFJY8fNxiCpwRBYoOA,118
 batplot_backup_20251121_223043/args.py,sha256=OH-h84QhN-IhMS8sPAsSEqccHD3wpeMgmXa_fqv5xtg,21215
 batplot_backup_20251121_223043/batch.py,sha256=oI7PONJyciHDOqNPq-8fnOQMyn9CpAdVznKaEdsy0ig,48650
@@ -68,8 +68,8 @@ batplot_backup_20251221_101150/style.py,sha256=ig1ozX4dhEsXf5JKaPZOvgVS3CWx-BTFS
 batplot_backup_20251221_101150/ui.py,sha256=ifpbK74juUzLMCt-sJGVaWtpDb1NMRJzs2YyiwwafzY,35302
 batplot_backup_20251221_101150/utils.py,sha256=LY2-Axr3DsQMTxuXe48vSjrLJKEnkzkZjdSFdQizbpg,37599
 batplot_backup_20251221_101150/version_check.py,sha256=ztTHwqgWd8OlS9PLLY5A_TabWxBASDA_-5yyN15PZC8,9996
-batplot-1.8.6.dist-info/METADATA,sha256=3vYzKlIUX7G_DynQgFBh-Weezl7GTs6u1a3vb2-Ir9w,7175
-batplot-1.8.6.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
-batplot-1.8.6.dist-info/entry_points.txt,sha256=73GgH3Zs-qGIvgiyQLgGsSW-ryOwPPKHveOW6TDIR5Q,82
-batplot-1.8.6.dist-info/top_level.txt,sha256=Z5Q4sAiT_FDqZqhlLsYn9avRTuFAEEf3AVfkswxOb18,70
-batplot-1.8.6.dist-info/RECORD,,
+batplot-1.8.11.dist-info/METADATA,sha256=ulk0HpgMaqViA4UK0DLrg4zYnL_1UmyCtzK5Z7sm1zs,7176
+batplot-1.8.11.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
+batplot-1.8.11.dist-info/entry_points.txt,sha256=73GgH3Zs-qGIvgiyQLgGsSW-ryOwPPKHveOW6TDIR5Q,82
+batplot-1.8.11.dist-info/top_level.txt,sha256=Z5Q4sAiT_FDqZqhlLsYn9avRTuFAEEf3AVfkswxOb18,70
+batplot-1.8.11.dist-info/RECORD,,