PyPowder 0.0.0a3__tar.gz → 0.0.0a5__tar.gz

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/.gitignore

@@ -1,3 +1,5 @@
+__version__.py
+
 # Byte-compiled / optimized / DLL files
 __pycache__/
 *.py[cod]

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/PKG-INFO

@@ -1,11 +1,11 @@
 Metadata-Version: 2.4
 Name: PyPowder
-Version: 0.0.0a3
+Version: 0.0.0a5
 Summary: Attempt at constructing a set of tools to convert XRDML files to a more usable format.
-Author-email: Diogo Almeida <dafda1@st-andrews.ac.uk>
+Author-email: Diogo Almeida <dafda1@st-andrews.ac.uk>, Max Pelly <mp250@st-andrews.ac.uk>
 License-Expression: GPL-3.0-or-later
-Project-URL: Homepage, https://github.com/dafda1/PyPOW
-Project-URL: Issues, https://github.com/dafda1/PyPOW/issues
+Project-URL: Homepage, https://github.com/MaxPelly/PyPOW
+Project-URL: Issues, https://github.com/MaxPelly/PyPOW/issues
 Classifier: Programming Language :: Python :: 3
 Classifier: Operating System :: OS Independent
 Requires-Python: >=3.9
@@ -14,7 +14,6 @@ License-File: LICENCE
 Requires-Dist: pandas
 Requires-Dist: numpy
 Requires-Dist: xmltodict
-Requires-Dist: matplotlib
 Dynamic: license-file
 
 # PyPOW

pypowder-0.0.0a5/RunConversion.bat

@@ -0,0 +1,3 @@
+call C:\Users\dafda1\Anaconda3\envs\scripting\Lib\venv\scripts\common\activate
+@python3 -m PyPOW %*
+@pause

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/pyproject.toml

@@ -7,6 +7,7 @@ name = "PyPowder"
 dynamic = ["version"]
 authors = [
   { name="Diogo Almeida", email="dafda1@st-andrews.ac.uk" },
+  { name="Max Pelly", email="mp250@st-andrews.ac.uk" },
 ]
 description = "Attempt at constructing a set of tools to convert XRDML files to a more usable format."
 readme = "README.md"
@@ -14,8 +15,7 @@ requires-python = ">=3.9"
 dependencies = [
 	"pandas",
 	"numpy",
-	"xmltodict",
-	"matplotlib",
+	"xmltodict"
 ]
 classifiers = [
     "Programming Language :: Python :: 3",
@@ -25,5 +25,11 @@ license = "GPL-3.0-or-later"
 license-files = ["LICEN[CS]E*"]
 
 [project.urls]
-Homepage = "https://github.com/dafda1/PyPOW"
-Issues = "https://github.com/dafda1/PyPOW/issues"
+Homepage = "https://github.com/MaxPelly/PyPOW"
+Issues = "https://github.com/MaxPelly/PyPOW/issues"
+
+[project.scripts]
+PyPOW = "PyPOW.__main__:convert_files"
+
+[tool.setuptools_scm]
+version_file = "src/PyPOW/__version__.py"

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/src/PyPOW/__init__.py

@@ -5,3 +5,5 @@ Created on Fri Oct 18 10:52:51 2024
 @author: dafda1
 """
 
+from PyPOW.import_module import *
+from PyPOW.__version__ import *

pypowder-0.0.0a3/src/PyPOW/run_XY_conversion.py → pypowder-0.0.0a5/src/PyPOW/__main__.py

@@ -13,13 +13,6 @@ from PyPOW.import_module import extract_intended_wavelength as get_wvl
 
 from sys import argv
 
-#%% check input and get list of files
-
-if len(argv) < 2:
-    raise ValueError("Must specify filenames to convert.")
-else:
-    files_to_convert = argv[1:]
-
 #%% define conversion functions
 
 def change_file_extension (filename):
@@ -28,25 +21,33 @@ def change_file_extension (filename):
 def convert_file (filename):
     df, meta = import_xrdml_data(filename, include_metadata = True)
     newfile = change_file_extension(filename)
-    
+
     #initialise data array and write 2 theta and intensity columns
     data = np.empty((df.index.size, 2), dtype = float)
     data[:, 0] = df["2Theta (deg)"]
     data[:, 1] = df["Intensity (counts)"]
-    
+
     #save as text (xy) file
     np.savetxt(newfile, data, fmt = ("%.3f", "%.1f"),
                header = "wavelength = %.5f %s\n" % get_wvl(meta['usedWavelength']) +\
                         "2theta (deg), Intensity (counts)")
-    
+
     #save dataframe as csv
     df.to_csv(filename[:-5] + "csv")
-    
     return newfile
 
 #%% run conversions
+def convert_files():
+
+    if len(argv) < 2:
+        raise ValueError("Must specify filenames to convert.")
+    else:
+        files_to_convert = argv[1:]
+
+    for filename in files_to_convert:
+        print(f">> Converting file {filename}.")
+        newfile = convert_file(filename)
+        print(f" >> Done. Created file {newfile}.")
 
-for filename in files_to_convert:
-    print(f">> Converting file {filename}.")
-    newfile = convert_file(filename)
-    print(f" >> Done. Created file {newfile}.")
+if __name__ == "__main__":
+    convert_files()

pypowder-0.0.0a5/src/PyPOW/__version__.py

@@ -0,0 +1,24 @@
+# file generated by vcs-versioning
+# don't change, don't track in version control
+from __future__ import annotations
+
+__all__ = [
+    "__version__",
+    "__version_tuple__",
+    "version",
+    "version_tuple",
+    "__commit_id__",
+    "commit_id",
+]
+
+version: str
+__version__: str
+__version_tuple__: tuple[int | str, ...]
+version_tuple: tuple[int | str, ...]
+commit_id: str | None
+__commit_id__: str | None
+
+__version__ = version = '0.0.0a5'
+__version_tuple__ = version_tuple = (0, 0, 0, 'a5')
+
+__commit_id__ = commit_id = 'g91f4eb88d'

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/src/PyPowder.egg-info/PKG-INFO

@@ -1,11 +1,11 @@
 Metadata-Version: 2.4
 Name: PyPowder
-Version: 0.0.0a3
+Version: 0.0.0a5
 Summary: Attempt at constructing a set of tools to convert XRDML files to a more usable format.
-Author-email: Diogo Almeida <dafda1@st-andrews.ac.uk>
+Author-email: Diogo Almeida <dafda1@st-andrews.ac.uk>, Max Pelly <mp250@st-andrews.ac.uk>
 License-Expression: GPL-3.0-or-later
-Project-URL: Homepage, https://github.com/dafda1/PyPOW
-Project-URL: Issues, https://github.com/dafda1/PyPOW/issues
+Project-URL: Homepage, https://github.com/MaxPelly/PyPOW
+Project-URL: Issues, https://github.com/MaxPelly/PyPOW/issues
 Classifier: Programming Language :: Python :: 3
 Classifier: Operating System :: OS Independent
 Requires-Python: >=3.9
@@ -14,7 +14,6 @@ License-File: LICENCE
 Requires-Dist: pandas
 Requires-Dist: numpy
 Requires-Dist: xmltodict
-Requires-Dist: matplotlib
 Dynamic: license-file
 
 # PyPOW

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/src/PyPowder.egg-info/SOURCES.txt

@@ -4,15 +4,15 @@ LICENCE
 README.md
 RunConversion.bat
 pyproject.toml
-requirements.txt
 .github/workflows/python-publish.yml
 src/PyPOW/__init__.py
+src/PyPOW/__main__.py
+src/PyPOW/__version__.py
 src/PyPOW/import_module.py
-src/PyPOW/lab.py
-src/PyPOW/run_XY_conversion.py
 src/PyPowder.egg-info/PKG-INFO
 src/PyPowder.egg-info/SOURCES.txt
 src/PyPowder.egg-info/dependency_links.txt
+src/PyPowder.egg-info/entry_points.txt
 src/PyPowder.egg-info/requires.txt
 src/PyPowder.egg-info/scm_file_list.json
 src/PyPowder.egg-info/scm_version.json
@@ -21,4 +21,5 @@ tests/ASG1_1.XRDML
 tests/ASG1_1.csv
 tests/ASG1_1.gsas
 tests/ASG1_1.xy
+tests/lab.py
 tests/working_example.py

pypowder-0.0.0a5/src/PyPowder.egg-info/entry_points.txt

@@ -0,0 +1,2 @@
+[console_scripts]
+PyPOW = PyPOW.__main__:convert_files

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/src/PyPowder.egg-info/requires.txt

@@ -1,4 +1,3 @@
 pandas
 numpy
 xmltodict
-matplotlib

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/src/PyPowder.egg-info/scm_file_list.json

@@ -4,13 +4,12 @@
     "LICENCE",
     "pyproject.toml",
     "RunConversion.bat",
-    "requirements.txt",
     ".gitattributes",
     ".gitignore",
-    "src/PyPOW/lab.py",
     "src/PyPOW/__init__.py",
     "src/PyPOW/import_module.py",
-    "src/PyPOW/run_XY_conversion.py",
+    "src/PyPOW/__main__.py",
+    "tests/lab.py",
     "tests/ASG1_1.csv",
     "tests/ASG1_1.XRDML",
     "tests/ASG1_1.gsas",

{pypowder-0.0.0a3 → pypowder-0.0.0a5}/src/PyPowder.egg-info/scm_version.json

@@ -1,7 +1,7 @@
 {
-  "tag": "0.0.0a3",
+  "tag": "0.0.0a5",
   "distance": 0,
-  "node": "g3ea66b9c74f885be3c156f18d5498f5afb89f090",
+  "node": "g91f4eb88dcd1a11aaecadbb663b99166a1a0221c",
   "dirty": false,
   "branch": "HEAD",
   "node_date": "2026-07-14"

pypowder-0.0.0a3/RunConversion.bat

@@ -1,3 +0,0 @@
-call C:\Users\dafda1\Anaconda3\envs\scripting\Lib\venv\scripts\common\activate
-@C:\Users\dafda1\Anaconda3\envs\scripting\python.exe C:\Users\dafda1\MyPackages\PyPOW\run_XY_conversion.py %*
-@pause

pypowder-0.0.0a3/requirements.txt

@@ -1,4 +0,0 @@
-pandas
-numpy
-matplotlib
-xmltodict