batplot 1.0.1__tar.gz → 1.0.2__tar.gz

{batplot-1.0.1 → batplot-1.0.2}/PKG-INFO

@@ -1,7 +1,7 @@
 Metadata-Version: 2.4
 Name: batplot
-Version: 1.0.1
-Summary: Interactively plot XRD, PDF, and XAS data.
+Version: 1.0.2
+Summary: Interactive plotting for XRD, PDF, and XAS data (.xye, .xy, .qye, .dat, .csv, .gr, .nor, .chik, .chir)
 Author-email: Your Name <your@email.com>
 Requires-Python: >=3.7
 Description-Content-Type: text/markdown

batplot-1.0.2/batplot/__init__.py

@@ -0,0 +1 @@
+# This file marks the batplot directory as a Python package.

{batplot-1.0.1 → batplot-1.0.2}/batplot/batplot.py

@@ -26,6 +26,7 @@ plt.rcParams.update({
     'font.size': 16
 })
 
+
 def normalize_label_text(text: str) -> str:
     if not text:
         return text
@@ -1969,7 +1970,7 @@ def interactive_menu(fig, ax, y_data_list, x_data_list, labels, orig_y,
                 for ln, st in zip(ax.lines, stored_styles):
                     if 'color' in st: ln.set_color(st['color'])
                     if 'linewidth' in st: ln.set_linewidth(st['linewidth'])
-                    if 'linestyle' in st: 
+                    if 'linestyle' in st:
                         try: ln.set_linestyle(st['linestyle'])
                         except Exception: pass
                     if 'alpha' in st and st['alpha'] is not None: ln.set_alpha(st['alpha'])
@@ -2505,7 +2506,7 @@ def interactive_menu(fig, ax, y_data_list, x_data_list, labels, orig_y,
                                         for c_idx, line_idx in enumerate(indices):
                                             ax.lines[line_idx].set_color(colors[c_idx])
                                         fig.canvas.draw()
-                                        print(f"Applied '{palette_name}' to curves: " + 
+                                        print(f"Applied '{palette_name}' to curves: " +
                                               ", ".join(str(i+1) for i in indices))
                     else:
                         print("Unknown color submenu option.")
@@ -3262,34 +3263,49 @@ def interactive_menu(fig, ax, y_data_list, x_data_list, labels, orig_y,
 # ---------------- Argument Parsing ----------------
 parser = argparse.ArgumentParser(
     description="batplot: Plot diffraction / PDF / XAS data (.xye, .xy, .qye, .dat, .csv, .gr, .nor, .chik, .chir)\n"
+                "  --delta or -d : vertical offset between curves (default 0.0 if --stack)\n"
+                "  --xrange min max : X-axis range (2θ or Q), Example: --xrange 2 10\n"
+                "  --out or -o : output image filename (default SVG), Example: --out figure.svg\n"
+                "  --xaxis : X-axis type override if the file extension is neither .xye nor .qye (2theta, Q, or r for PDF)\n"
+                "  --wl : global wavelength (Å) for Q conversion, Example: --wl 1.5406\n"
+                "  --fullprof : FullProf matrix: xstart xend xstep [wavelength], Example: --fullprof 2 10 0.02 1.5406\n"
+                "  --raw : plot raw intensity values instead of normalized\n"
+                "  --stack : stack curves from top to bottom\n"
+                "test"
+                "  --interactive : keep figure open for interactive editing\n\n"
+                "Example usages:\n"
+                "  batplot file1.xye:1.5406 file2.qye --stack --interactive\n"
+                "  batplot file1.dat file2.dat --xaxis Q --wl 1.5406 --delta 1.0 --out figure.svg\n"
+                "  batplot file1.xy file2.xy --xaxis 2theta --raw --xrange 2 10\n"
+                "  batplot file1.qye file2.xye:1.54 structure1.cif structure2.cif --stack --interactive\n\n"
                 "Extra usage:\n"
                 "  batplot FOLDER    -> batch export all supported files in FOLDER to FOLDER/batplot_svg/*.svg\n"
-                "  batplot all       -> batch export all supported files in current directory to ./batplot_svg/*.svg",
+                "  batplot all       -> batch export all supported files in current directory to ./batplot_svg/*.svg\n",
     formatter_class=argparse.RawDescriptionHelpFormatter
 )
-parser.add_argument("files", nargs="*", help="Files to plot. Optionally specify wavelength per file: file.xye")
-parser.add_argument("--delta", "-d", type=float, default=None,
-                    help="Vertical offset between curves (default 0.0 if --stack). Example: --delta 0.2")
-#parser.add_argument("--autoscale", action="store_true", help="Scale offsets relative to max intensity per curve")
-parser.add_argument("--xrange", nargs=2, type=float, help="X-axis range: min max (2θ or Q), Example: --xrange 2 10")
-parser.add_argument("--out", "-o", type=str, help="Output image filename (default SVG), Example: --out figure.svg")
-#parser.add_argument("--errors", action="store_true", help="Plot error bars if present")
-parser.add_argument("--xaxis", choices=["2theta", "Q", "r"],
-                    help="X-axis type override (2theta, Q, or r for PDF)")
-#parser.add_argument("--convert", "-c", nargs="+", help="Convert .xye/.dat files to .qye using --wl")
-parser.add_argument("--wl", type=float, help="Global wavelength (Å) for Q conversion, Example: --wl 1.5406 (alternatively specify per file with ':', Example: file.xye:1.5406)")
-parser.add_argument("--fullprof", nargs="+", type=float, help="FullProf matrix: xstart xend xstep [wavelength], Example: --fullprof 2 10 0.02 1.5406")
-parser.add_argument("--raw", action="store_true", help="Plot raw intensity values instead of normalized")
-#parser.add_argument("--savefig", type=str, help="Save figure object for later editing (.pkl)")
-parser.add_argument("--stack", action="store_true",
-                    help="Stack curves from top to bottom")
-parser.add_argument("--interactive", action="store_true", help="Keep figure open for interactive editing\n")
-parser.add_argument("Example usages:")
-parser.add_argument("batplot file1.xye file2.qye:1.5406 --stack --interactive")
-parser.add_argument("batplot file1.dat --xaxis Q --wl 1.5406 --delta 0.1 --out figure.svg")
-parser.add_argument("batplot file1.xy file2.xy --raw --xrange 2 10")
-parser.add_argument("batplot file1.qye file2.xye:1.54 structure1.cif structure2.cif --stack --interactive")
-parser.add_argument("batplot all")
+# parser.add_argument("files", nargs="*", help="Files to plot. Optionally specify wavelength per file: file.xye")
+# parser.add_argument("--delta", "-d", type=float, default=None,
+#                     help="Vertical offset between curves (default 0.0 if --stack). Example: --delta 0.2")
+# #parser.add_argument("--autoscale", action="store_true", help="Scale offsets relative to max intensity per curve")
+# parser.add_argument("--xrange", nargs=2, type=float, help="X-axis range: min max (2θ or Q), Example: --xrange 2 10")
+# parser.add_argument("--out", "-o", type=str, help="Output image filename (default SVG), Example: --out figure.svg")
+# #parser.add_argument("--errors", action="store_true", help="Plot error bars if present")
+# parser.add_argument("--xaxis", choices=["2theta", "Q", "r"],
+#                     help="X-axis type override (2theta, Q, or r for PDF)")
+# #parser.add_argument("--convert", "-c", nargs="+", help="Convert .xye/.dat files to .qye using --wl")
+# parser.add_argument("--wl", type=float, help="Global wavelength (Å) for Q conversion, Example: --wl 1.5406 (alternatively specify per file with ':', Example: file.xye:1.5406)")
+# parser.add_argument("--fullprof", nargs="+", type=float, help="FullProf matrix: xstart xend xstep [wavelength], Example: --fullprof 2 10 0.02 1.5406")
+# parser.add_argument("--raw", action="store_true", help="Plot raw intensity values instead of normalized")
+# #parser.add_argument("--savefig", type=str, help="Save figure object for later editing (.pkl)")
+# parser.add_argument("--stack", action="store_true",
+#                     help="Stack curves from top to bottom")
+# parser.add_argument("--interactive", action="store_true", help="Keep figure open for interactive editing\n")
+# parser.add_argument("Example usages:")
+# parser.add_argument("batplot file1.xye file2.qye:1.5406 --stack --interactive")
+# parser.add_argument("batplot file1.dat --xaxis Q --wl 1.5406 --delta 0.1 --out figure.svg")
+# parser.add_argument("batplot file1.xy file2.xy --raw --xrange 2 10")
+# parser.add_argument("batplot file1.qye file2.xye:1.54 structure1.cif structure2.cif --stack --interactive")
+# parser.add_argument("batplot all")
 
 args = parser.parse_args()
 

{batplot-1.0.1 → batplot-1.0.2}/batplot.egg-info/PKG-INFO

@@ -1,7 +1,7 @@
 Metadata-Version: 2.4
 Name: batplot
-Version: 1.0.1
-Summary: Interactively plot XRD, PDF, and XAS data.
+Version: 1.0.2
+Summary: Interactive plotting for XRD, PDF, and XAS data (.xye, .xy, .qye, .dat, .csv, .gr, .nor, .chik, .chir)
 Author-email: Your Name <your@email.com>
 Requires-Python: >=3.7
 Description-Content-Type: text/markdown

{batplot-1.0.1 → batplot-1.0.2}/pyproject.toml

@@ -1,13 +1,13 @@
 [build-system]
-requires = ["setuptools>=61.0"]
+requires = ["setuptools", "wheel"]
 build-backend = "setuptools.build_meta"
 
 [project]
 name = "batplot"
-version = "1.0.1"
-description = "Interactively plot XRD, PDF, and XAS data."
+version = "1.0.2"
+description = "Interactive plotting for XRD, PDF, and XAS data (.xye, .xy, .qye, .dat, .csv, .gr, .nor, .chik, .chir)"
 authors = [
-  { name="Your Name", email="your@email.com" }
+    { name = "Your Name", email = "your@email.com" }
 ]
 readme = "README.md"
 requires-python = ">=3.7"
@@ -18,7 +18,3 @@ dependencies = [
 
 [project.scripts]
 batplot = "batplot.batplot:main"
-
-[tool.setuptools.packages.find]
-where = ["."]
-include = ["batplot*"]

batplot-1.0.1/batplot/__init__.py

@@ -1 +0,0 @@
-# batplot package init