pyemaps 1.1.7__tar.gz → 2.0.0__tar.gz

{pyemaps-1.1.7 → pyemaps-2.0.0}/CifFile/src/CifFile_module.py

@@ -353,7 +353,7 @@ class CifDic(StarFile.StarFile):
             self.DDL2_normalise()   #iron out some DDL2 tricky bits
         elif self.diclang == "DDLm":
             self.scoping = 'dictionary'   #expose all save frames
-            if do_imports is not 'No':
+            if do_imports != 'No':
                 self.obtain_imports(import_mode=do_imports,heavy=heavy)#recursively calls this routine
             self.create_alias_table()
             self.create_cat_obj_table()

{pyemaps-1.1.7 → pyemaps-2.0.0}/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: pyemaps
-Version: 1.1.7
+Version: 2.0.0
 Summary: A Python Package for Transmission Electron Diffraction Simulations and Crystallographic Computing
 Home-page: https://www.emlabsolutions.com
 Author: EMLab Solutions, Inc.
@@ -8,14 +8,25 @@ Author-email: support@emlabsoftware.com
 License: Free for base features. License activation required for extended 4dstem features
 Keywords: Transmission,Electron,Diffraction,Simulation,Crystallography,Python
 Classifier: Development Status :: 5 - Production/Stable
-Classifier: Programming Language :: Python :: 3.7
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Programming Language :: Python :: 3.14
+Classifier: Programming Language :: Python :: 3.15
 Classifier: Operating System :: Microsoft :: Windows
 Classifier: Topic :: Software Development :: Libraries :: Python Modules
 Classifier: Intended Audience :: Science/Research
-Requires-Python: >=3.7
+Requires-Python: >=3.12
 Description-Content-Type: text/markdown
 License-File: license.txt
 License-File: COPYING
+Requires-Dist: emaps>=2.0.0
+Requires-Dist: numpy>=2.0
+Requires-Dist: matplotlib>=3.8.4
+Dynamic: description
+Dynamic: description-content-type
+Dynamic: license-file
+Dynamic: requires-dist
+Dynamic: summary
 
 <!-- #  Open Source __pyEMAPS__ Development Guidelines -->
 
@@ -74,22 +85,18 @@ See instructions below for contributor:
 ## Build pyEMAPS [`↩`](#content) <a id="build"></a>
 
 Requirements and recommendations:
-* __Python__: Version == 3.7
+* __Python__: Version 3.12, 3.13, 3.14 or 3.15
 * __Operating Systems__: Windows
 * __VSCode__: code editing (recommended, for contributors only)
-* __MSVC Community 2019__: with build tools (for contributors only)
 
-Current __pyEMAPS__ only support Windows and python 3.7. We are also looking for contributors to extend it to other platforms and python versions. 
+Building __pyEMAPS__ itself needs no compiler, because it is pure Python. Its compiled backend, __emaps__, supports Windows with Python 3.12 to 3.15, so __pyEMAPS__ does too. pyEMAPS 1.1.x remains available for Python 3.7. We are also looking for contributors to extend it to other platforms. 
 
 Like many python development, a virtual python environment is recommended to isolate your pyEMAPS development environment from your other python development projects.
 
-Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as an example:
+Below are steps to establish __pyEMAPS__ build environment with python 3.12 as an example:
 
-* Install python 3.7.9 with Windows PowerShell command line in Administrator mode in c:\python37 directory:
-```   
-   Invoke-WebRequest -Uri "https://www.python.org/ftp/python/3.7.9/python-3.7.9-amd64.exe" -OutFile "python-3.7.9-amd64.exe"
-```
-* Run the "python-3.7.9-amd64.exe", choose the following in installer GUI:
+* Download the Python 3.12 Windows installer (64-bit) from [python.org](https://www.python.org/downloads/windows/).
+* Run the installer, choose the following in installer GUI:
   
      * Select Customize Installation
      * Check and select pip
@@ -102,7 +109,7 @@ Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as
        (or choose your own directory name)
      * Create pyemaps_build virtual environemnt:
        ```
-       c:\python37\python.exe -m venv pyemaps_build
+       py -3.12 -m venv pyemaps_build
        ```
 * Activate pyemaps_build vitual environment:
      ```
@@ -110,16 +117,12 @@ Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as
      ```
 * Update pip:
   ```
-   C:\Python37\python.exe -m pip install pip --upgrade
+   python -m pip install pip --upgrade
   ```
 * Install other python packages required for building pyemaps, using pip:
   ``` 
-  pip install setuptool wheel numpy build
+  pip install setuptools wheel build
   ```
-* Install Microsoft Visual Studio 2019 Community with build tools 
-   https://visualstudio.microsoft.com/vs/older-downloads/
-   by selecting "Desktop development with C++" in the installer.
-   (You may need a microsoft account to be able to download)
 * Build directory structure:
 
 <pre>
@@ -160,7 +163,7 @@ where _docs_ for creation of documents requires Sphinx python package:
 
 * Install the new pyEMAPS package:
   ```
-   pip .\dist\pyemaps-1.0.0-cp37-cp37m-win_amd64.whl
+   pip install .\dist\pyemaps-1.0.0-py3-none-any.whl
   ```
   This will install new pyEMAPS just built in current python virtual environment
   along with all of its dependent packages. 

{pyemaps-1.1.7 → pyemaps-2.0.0}/README.md

@@ -55,22 +55,18 @@ See instructions below for contributor:
 ## Build pyEMAPS [`↩`](#content) <a id="build"></a>
 
 Requirements and recommendations:
-* __Python__: Version == 3.7
+* __Python__: Version 3.12, 3.13, 3.14 or 3.15
 * __Operating Systems__: Windows
 * __VSCode__: code editing (recommended, for contributors only)
-* __MSVC Community 2019__: with build tools (for contributors only)
 
-Current __pyEMAPS__ only support Windows and python 3.7. We are also looking for contributors to extend it to other platforms and python versions. 
+Building __pyEMAPS__ itself needs no compiler, because it is pure Python. Its compiled backend, __emaps__, supports Windows with Python 3.12 to 3.15, so __pyEMAPS__ does too. pyEMAPS 1.1.x remains available for Python 3.7. We are also looking for contributors to extend it to other platforms. 
 
 Like many python development, a virtual python environment is recommended to isolate your pyEMAPS development environment from your other python development projects.
 
-Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as an example:
+Below are steps to establish __pyEMAPS__ build environment with python 3.12 as an example:
 
-* Install python 3.7.9 with Windows PowerShell command line in Administrator mode in c:\python37 directory:
-```   
-   Invoke-WebRequest -Uri "https://www.python.org/ftp/python/3.7.9/python-3.7.9-amd64.exe" -OutFile "python-3.7.9-amd64.exe"
-```
-* Run the "python-3.7.9-amd64.exe", choose the following in installer GUI:
+* Download the Python 3.12 Windows installer (64-bit) from [python.org](https://www.python.org/downloads/windows/).
+* Run the installer, choose the following in installer GUI:
   
      * Select Customize Installation
      * Check and select pip
@@ -83,7 +79,7 @@ Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as
        (or choose your own directory name)
      * Create pyemaps_build virtual environemnt:
        ```
-       c:\python37\python.exe -m venv pyemaps_build
+       py -3.12 -m venv pyemaps_build
        ```
 * Activate pyemaps_build vitual environment:
      ```
@@ -91,16 +87,12 @@ Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as
      ```
 * Update pip:
   ```
-   C:\Python37\python.exe -m pip install pip --upgrade
+   python -m pip install pip --upgrade
   ```
 * Install other python packages required for building pyemaps, using pip:
   ``` 
-  pip install setuptool wheel numpy build
+  pip install setuptools wheel build
   ```
-* Install Microsoft Visual Studio 2019 Community with build tools 
-   https://visualstudio.microsoft.com/vs/older-downloads/
-   by selecting "Desktop development with C++" in the installer.
-   (You may need a microsoft account to be able to download)
 * Build directory structure:
 
 <pre>
@@ -141,7 +133,7 @@ where _docs_ for creation of documents requires Sphinx python package:
 
 * Install the new pyEMAPS package:
   ```
-   pip .\dist\pyemaps-1.0.0-cp37-cp37m-win_amd64.whl
+   pip install .\dist\pyemaps-1.0.0-py3-none-any.whl
   ```
   This will install new pyEMAPS just built in current python virtual environment
   along with all of its dependent packages. 

{pyemaps-1.1.7 → pyemaps-2.0.0}/__main__.py

@@ -65,7 +65,7 @@ def copy_samples():
             shutil.copy(source, destination)
             print(f'Copied sample code: {file_name} in pyemaps package to {destination}')
 
-    print(f'Run sample code by typing: \"python pyemaps_samples\<sample>\"')
+    print(f'Run sample code by typing: \"python pyemaps_samples\\<sample>\"')
 
 def is_alphanumeric_with_dash(s, slen):
     """
@@ -103,7 +103,7 @@ def main():
         
     import argparse
     import datetime
-    import pkg_resources
+    from importlib.metadata import version as dist_version
 
     parser = argparse.ArgumentParser(description="pyEMAPS command line tool.",  
                                      formatter_class=argparse.RawTextHelpFormatter)
@@ -155,7 +155,7 @@ The token is obtained from EMLab Solutions, Inc. by writing to support@emlabsoft
         parser.print_help()
         exit(1)
 
-    ver = pkg_resources.require("pyemaps")[0].version + str(f" {rel_stage}").lower()
+    ver = dist_version("pyemaps") + str(f" {rel_stage}").lower()
     
     copyrit = ['PyEMAPS - Transmission Electron Diffraction Simulations In Python']
     copy1 = '© 2021-' + datetime.date.today().strftime('%Y') + ' EMLab Solutions, Inc. All rights reserved.'

pyemaps-2.0.0/__version__.py

@@ -0,0 +1 @@
+__version__ = "2.0.0"

{pyemaps-1.1.7 → pyemaps-2.0.0}/diffract/powder_dec.py

@@ -50,7 +50,9 @@ def add_powder(target):
             raise ValueError("Failed to plot: data error")
         
         fig, ax = plt.subplots()
-        fig.canvas.set_window_title('PYEMAPS')    
+        # canvas.set_window_title was removed in matplotlib 3.6
+        if fig.canvas.manager is not None:
+            fig.canvas.manager.set_window_title('PYEMAPS')
         fig.suptitle("Electron Powder Diffraction", fontsize=14, fontweight='bold')
 
         ax.set_title(self.name)

{pyemaps-1.1.7 → pyemaps-2.0.0}/display.py

@@ -81,7 +81,6 @@ def _find_dpi():
         import ctypes
     except ImportError as e:
         print(f'failed to find display resolution') 
-        print(f'supported python version: == 3.7')
         print(f'Use default dpi of 96 for display')
 
         return dpi
@@ -102,6 +101,9 @@ def _isWin():
     import sys
     return (sys.platform == 'win32')
 
+# seconds a window with bClose=True stays up after its last image
+CLOSE_DELAY = 3
+
 class DifPlotter:
     # '''
     # diffraction data plotter that receives data from the pipe and
@@ -125,6 +127,8 @@ class DifPlotter:
    
     def terminate(self):
         if self.bClose:
+            # keep the last image up for CLOSE_DELAY seconds, then close the window
+            plt.pause(CLOSE_DELAY)
             plt.close(self.fig) #just close the current figure
         # Otherwise:
         # users must close this window after done
@@ -409,10 +413,9 @@ class DifPlotter:
         
         self.type = type
         if hasDisplay:
+            # canvas.set_window_title was removed in matplotlib 3.6
             if self.fig.canvas.manager is not None:
                 self.fig.canvas.manager.set_window_title(pyemaps_title)
-            else:
-                self.fig.canvas.set_window_title(pyemaps_title)
 
         self.fig.suptitle(self.name, va='top', fontsize=24)
         
@@ -487,7 +490,7 @@ def showDif(dpl=None,
     :param bSave: Whether to save the diplay into a .png image file.
     :type bSave: bool    
 
-    :param bClose: Whether to close plotting window when finished. Default: False - users must close it. 
+    :param bClose: Whether to close the plotting window by itself, 3 seconds after the last image. Default: False - users must close it. 
     :type bClose: bool, optional  
     
     """
@@ -537,7 +540,7 @@ def showBloch(bimgs,
     :param bSave: Optional. Whether to save the image into a .im3 image file.
     :type bSave: bool    
 
-    :param bClose: Whether to close plotting window when finished. Default: False - users must close it. 
+    :param bClose: Whether to close the plotting window by itself, 3 seconds after the last image. Default: False - users must close it. 
     :type bClose: bool, optional  
     
     """
@@ -595,7 +598,7 @@ def showStereo(slist, name,
     :param bSave: Whether to save the image into a .png image file.
     :type bSave: bool, optional  
     
-    :param bClose: Whether to close plotting window when finished. Default: False - users must close it. 
+    :param bClose: Whether to close the plotting window by itself, 3 seconds after the last image. Default: False - users must close it. 
     :type bClose: bool, optional  
 
 
@@ -705,8 +708,10 @@ def displayXImage(img,
             bsize = (1.0, 1.0*int(nr/nc))
 
         fig, ax = plt.subplots(figsize=bsize, dpi=qedDPI)
-        
-        fig.canvas.set_window_title(STEM4D_TITLE)
+
+        # canvas.set_window_title was removed in matplotlib 3.6
+        if fig.canvas.manager is not None:
+            fig.canvas.manager.set_window_title(STEM4D_TITLE)
         # ax.set_xlabel(suptitle, fontsize=1.5)
         fig.suptitle(suptitle, va='top', fontsize=1.5)
         
@@ -764,10 +769,9 @@ def plot2Powder(pw1, pw2, bClose=True):
     fig, (ax1, ax2) = plt.subplots(nrows = 2)
     
     title = 'pyEMAPS - Powder Diffraction'
+    # canvas.set_window_title was removed in matplotlib 3.6
     if fig.canvas.manager is not None:
         fig.canvas.manager.set_window_title(title)
-    else:
-        fig.canvas.set_window_title(title)    
     
     ax1.plot(pw1[0], pw1[1], 'r')
     ax1.set_title('Silicon')

{pyemaps-1.1.7 → pyemaps-2.0.0}/fileutils.py

@@ -193,10 +193,10 @@ negative_infinity = float(-np.inf)
 
 required_keys = ['cell', 'dw', 'atoms', 'spg']
 
-NUMERIC_PATTERN = '[-+]? (?: (?: \d* \. \d+ ) | (?: \d+ \.? ) )(?: [Ee] [+-]? \d+ ) ?'
+NUMERIC_PATTERN = r'[-+]? (?: (?: \d* \. \d+ ) | (?: \d+ \.? ) )(?: [Ee] [+-]? \d+ ) ?'
 RX = re.compile(NUMERIC_PATTERN, re.VERBOSE)
 
-HM_CORE_PATTERN = '[A-Za-z0-9 /\-+]+'
+HM_CORE_PATTERN = r'[A-Za-z0-9 /\-+]+'
 HM_RX = re.compile(HM_CORE_PATTERN, re.VERBOSE)
 
 

{pyemaps-1.1.7 → pyemaps-2.0.0}/pyemaps.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: pyemaps
-Version: 1.1.7
+Version: 2.0.0
 Summary: A Python Package for Transmission Electron Diffraction Simulations and Crystallographic Computing
 Home-page: https://www.emlabsolutions.com
 Author: EMLab Solutions, Inc.
@@ -8,14 +8,25 @@ Author-email: support@emlabsoftware.com
 License: Free for base features. License activation required for extended 4dstem features
 Keywords: Transmission,Electron,Diffraction,Simulation,Crystallography,Python
 Classifier: Development Status :: 5 - Production/Stable
-Classifier: Programming Language :: Python :: 3.7
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Programming Language :: Python :: 3.14
+Classifier: Programming Language :: Python :: 3.15
 Classifier: Operating System :: Microsoft :: Windows
 Classifier: Topic :: Software Development :: Libraries :: Python Modules
 Classifier: Intended Audience :: Science/Research
-Requires-Python: >=3.7
+Requires-Python: >=3.12
 Description-Content-Type: text/markdown
 License-File: license.txt
 License-File: COPYING
+Requires-Dist: emaps>=2.0.0
+Requires-Dist: numpy>=2.0
+Requires-Dist: matplotlib>=3.8.4
+Dynamic: description
+Dynamic: description-content-type
+Dynamic: license-file
+Dynamic: requires-dist
+Dynamic: summary
 
 <!-- #  Open Source __pyEMAPS__ Development Guidelines -->
 
@@ -74,22 +85,18 @@ See instructions below for contributor:
 ## Build pyEMAPS [`↩`](#content) <a id="build"></a>
 
 Requirements and recommendations:
-* __Python__: Version == 3.7
+* __Python__: Version 3.12, 3.13, 3.14 or 3.15
 * __Operating Systems__: Windows
 * __VSCode__: code editing (recommended, for contributors only)
-* __MSVC Community 2019__: with build tools (for contributors only)
 
-Current __pyEMAPS__ only support Windows and python 3.7. We are also looking for contributors to extend it to other platforms and python versions. 
+Building __pyEMAPS__ itself needs no compiler, because it is pure Python. Its compiled backend, __emaps__, supports Windows with Python 3.12 to 3.15, so __pyEMAPS__ does too. pyEMAPS 1.1.x remains available for Python 3.7. We are also looking for contributors to extend it to other platforms. 
 
 Like many python development, a virtual python environment is recommended to isolate your pyEMAPS development environment from your other python development projects.
 
-Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as an example:
+Below are steps to establish __pyEMAPS__ build environment with python 3.12 as an example:
 
-* Install python 3.7.9 with Windows PowerShell command line in Administrator mode in c:\python37 directory:
-```   
-   Invoke-WebRequest -Uri "https://www.python.org/ftp/python/3.7.9/python-3.7.9-amd64.exe" -OutFile "python-3.7.9-amd64.exe"
-```
-* Run the "python-3.7.9-amd64.exe", choose the following in installer GUI:
+* Download the Python 3.12 Windows installer (64-bit) from [python.org](https://www.python.org/downloads/windows/).
+* Run the installer, choose the following in installer GUI:
   
      * Select Customize Installation
      * Check and select pip
@@ -102,7 +109,7 @@ Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as
        (or choose your own directory name)
      * Create pyemaps_build virtual environemnt:
        ```
-       c:\python37\python.exe -m venv pyemaps_build
+       py -3.12 -m venv pyemaps_build
        ```
 * Activate pyemaps_build vitual environment:
      ```
@@ -110,16 +117,12 @@ Below are steps to establish __pyEMAPS__ build environment with python 3.7.9 as
      ```
 * Update pip:
   ```
-   C:\Python37\python.exe -m pip install pip --upgrade
+   python -m pip install pip --upgrade
   ```
 * Install other python packages required for building pyemaps, using pip:
   ``` 
-  pip install setuptool wheel numpy build
+  pip install setuptools wheel build
   ```
-* Install Microsoft Visual Studio 2019 Community with build tools 
-   https://visualstudio.microsoft.com/vs/older-downloads/
-   by selecting "Desktop development with C++" in the installer.
-   (You may need a microsoft account to be able to download)
 * Build directory structure:
 
 <pre>
@@ -160,7 +163,7 @@ where _docs_ for creation of documents requires Sphinx python package:
 
 * Install the new pyEMAPS package:
   ```
-   pip .\dist\pyemaps-1.0.0-cp37-cp37m-win_amd64.whl
+   pip install .\dist\pyemaps-1.0.0-py3-none-any.whl
   ```
   This will install new pyEMAPS just built in current python virtual environment
   along with all of its dependent packages. 

{pyemaps-1.1.7 → pyemaps-2.0.0}/pyemaps.egg-info/SOURCES.txt

@@ -18,9 +18,28 @@ setup.cfg
 setup.py
 stackimg.py
 xtal.py
-C:/Users/sharon/dev_space/pyemaps_release_builds/20260921-203032/pyemaps/CifFile/src/lib/lex.yy.c
-C:/Users/sharon/dev_space/pyemaps_release_builds/20260921-203032/pyemaps/CifFile/src/lib/py_star_scan.c
-C:/Users/sharon/dev_space/pyemaps_release_builds/20260921-203032/pyemaps/CifFile/src/lib/star_scanner.h
+./__init__.py
+./crystals.py
+./ddiffs.py
+./display.py
+./emcontrols.py
+./errors.py
+./fileutils.py
+./kdiffs.py
+./stackimg.py
+./xtal.py
+./diffract/__init__.py
+./diffract/bloch_dec.py
+./diffract/csf_dec.py
+./diffract/dif_dec.py
+./diffract/dpgen_dec.py
+./diffract/mxtal_dec.py
+./diffract/powder_dec.py
+./diffract/stereo_dec.py
+./scattering/__init__.py
+./scattering/sct_dec.py
+./spg/__init__.py
+./spg/spg_dec.py
 CifFile/src/CifFile_module.py
 CifFile/src/StarFile.py
 CifFile/src/TypeContentsParser.py

pyemaps-2.0.0/pyemaps.egg-info/requires.txt

@@ -0,0 +1,3 @@
+emaps>=2.0.0
+numpy>=2.0
+matplotlib>=3.8.4

pyemaps-2.0.0/pyproject.toml

@@ -0,0 +1,6 @@
+[build-system]
+requires = [
+    "setuptools",
+    "wheel"
+]
+build-backend = "setuptools.build_meta"

{pyemaps-1.1.7 → pyemaps-2.0.0}/samples/si_pyemaps.py

@@ -50,7 +50,7 @@ def run_si_sample():
     dpl.add(emc, si_dp) 
     
     #plot and show the diffraction pattern using pyemaps built-in plot function
-    showDif(dpl)
+    showDif(dpl, bClose=True)
 
     #hide Kikuchi lines
     showDif(dpl, kShow=False, bClose=True) 

{pyemaps-1.1.7 → pyemaps-2.0.0}/setup.cfg

@@ -2,7 +2,10 @@
 author = EMLab Solutions, Inc.
 author_email = support@emlabsoftware.com
 classifiers = Development Status :: 5 - Production/Stable
-	Programming Language :: Python :: 3.7
+	Programming Language :: Python :: 3.12
+	Programming Language :: Python :: 3.13
+	Programming Language :: Python :: 3.14
+	Programming Language :: Python :: 3.15
 	Operating System :: Microsoft :: Windows
 	Topic :: Software Development :: Libraries :: Python Modules
 	Intended Audience :: Science/Research
@@ -16,11 +19,9 @@ keywords = Transmission
 url = https://www.emlabsolutions.com
 
 [options]
-python_requires = >= 3.7
+python_requires = >= 3.12
 quiet = 1
 
-[build_ext]
-
 [egg_info]
 tag_build = 
 tag_date = 0

{pyemaps-1.1.7 → pyemaps-2.0.0}/setup.py

@@ -23,39 +23,48 @@ Author:             EMLab Solutions, Inc.
 Date Created:       May 07, 2022  
 
 '''
-from ast import keyword
-from ensurepip import version
-from multiprocessing import AuthenticationError
-from nturl2path import url2pathname
-from random import sample
-from ssl import Options
-
-import setuptools
-from numpy.distutils.core import Extension, setup
-
-from numpy.distutils.command.build_ext import build_ext as numpy_build_ext
-
 import os
-
-os.environ["DISTUTILS_USE_SDK"] = "1"
-os.environ["MSSdk"] = "1"
 from pathlib import Path
 
-install_requires = [
-            'emaps >= 1.1.1',
-            'numpy >= 1.21.2',
-            'matplotlib >= 3.2.1'
-            ]
+# pyemaps is pure Python. The bundled PyCifRW's optional C scanner
+# (pyemaps.CifFile.StarScan, sources in CifFile/src/lib) is not built:
+# pyemaps reads CIF files with ReadCif's default pure-Python scanner, and
+# PyCifRW falls back to it when StarScan is absent. That makes the wheel
+# py3-none-any, one wheel for every Python version.
+from setuptools import setup
+try:
+    from setuptools.command.install_data import install_data as _install_data
+except ImportError:
+    # setuptools has no install_data command of its own (checked up to
+    # 84.2.1), so this branch is the one that normally runs. Python 3.12+
+    # has no stdlib distutils, but importing setuptools first makes
+    # setuptools' bundled copy answer this import.
+    from distutils.command.install_data import install_data as _install_data
+
+
+class install_data_in_package(_install_data):
+    '''
+    Install data_files inside the installed package, as numpy.distutils did.
 
-def get_cifreader_source():
-    current_path = Path(os.path.abspath(__file__))
-    pyemaps_parent_path = current_path.parent.absolute()
-    cifreader_path = os.path.join(pyemaps_parent_path, 'CifFile')
+    Plain setuptools installs relative data_files under sys.prefix. The
+    wheel then puts them in its .data/ section, so __main__.py,
+    __version__.py, __config__.py, cdata/ and samples/ would end up outside
+    site-packages/pyemaps. Point install_data at install_lib instead, which
+    keeps the same wheel layout as earlier pyemaps releases.
+    '''
+    def finalize_options(self):
+        self.set_undefined_options('install',
+                                   ('install_lib', 'install_dir'),
+                                   ('root', 'root'),
+                                   ('force', 'force'),
+                                   )
 
-    # print(f'-----------CifReader Source path: {cifreader_path}')
 
-    src_files = ["src/lib/lex.yy.c","src/lib/py_star_scan.c"]
-    return [os.path.join(cifreader_path, s) for s in src_files]
+install_requires = [
+            'emaps >= 2.0.0',
+            'numpy >= 2.0',
+            'matplotlib >= 3.8.4'
+            ]
 
 def get_samples(sdn = 'samples'):
     '''
@@ -107,20 +116,6 @@ def get_install_requires():
     return install_reqs
 
 
-pyemaps_cifreader = Extension("pyemaps.CifFile.StarScan",
-        sources                = get_cifreader_source(),  # Replace with your source files
-        extra_compile_args=[
-                    "/Wall",                # Enable all warnings
-                    # "/Zi",                  # Generate debug info
-                    "/nologo",              # Suppress the MSVC logo
-                    "/D _CRT_SECURE_NO_WARNINGS",  # Disable CRT warnings (optional)
-                    "/EHsc",                # Enable exception handling (for C++)
-        ],
-        extra_link_args=[
-        # "/DEBUG",               # Generate debug symbols for linking
-        ]   
-)
-
 def get_version(f):
     version = {}
     with open(f + ".py") as fp:
@@ -163,9 +158,7 @@ setup(name                              ="pyemaps",
                                            'pyemaps.CifFile.StarFile',
                                            'pyemaps.CifFile.TypeContentsParser'],
 
-      ext_modules                       = [pyemaps_cifreader,],
-
-      packages                          = ['pyemaps.diffract', 
+      packages                         = ['pyemaps.diffract', 
                                            'pyemaps.scattering', 
                                            'pyemaps.spg',
                                            'pyemaps.CifFile',
@@ -181,7 +174,8 @@ setup(name                              ="pyemaps",
                                             ],
                                             },
       install_requires                  = get_install_requires(),
-      
+      cmdclass                          = {'install_data': install_data_in_package},
+
       data_files                        = [('pyemaps', 
                                             ['__config__.py',
                                             '__main__.py',

{pyemaps-1.1.7 → pyemaps-2.0.0}/stackimg.py

@@ -106,7 +106,9 @@ class StackImage():
                         MIN_IMAGESIZE,
                         MIN_IMAGESTACK),
                  noffset = 8):
-        
+
+        self._data = None                       # current image data
+        self._npdata = None                     # numpy input image (E_NPY)
         setattr(self, 'nformat', nformat)       # image file type
         setattr(self, 'fname', imgfn)           # image file name
         setattr(self, 'noffset', noffset)       # image header offset to image data
@@ -176,6 +178,10 @@ class StackImage():
         Otherwise, the data will be generated from Stem4d when the input image
         file is loaded.
 
+        With `nformat` set to E_NPY, set this to a 2-D numpy array of any
+        boolean, integer or floating-point type, 100 to 512 pixels per side,
+        before calling `loadImage`. It is converted to float32 when loaded.
+
         """
         return self._data
 
@@ -229,9 +235,12 @@ class StackImage():
 
     @data.setter
     def data(self, idata):
-        if not isinstance(idata, np.ndarray()):
-            raise XDPImageError('Raw image data must be an numpy array')
+        if not isinstance(idata, np.ndarray):
+            raise XDPImageError('Raw image data must be a numpy array')
 
+        # loadImage reads the input from _npdata; _data is replaced by
+        # whichever image is loaded or generated later
+        self._npdata = idata
         self._data = idata
 
     def __del__(self):
@@ -250,7 +259,12 @@ class StackImage():
         ximage = stem4d.cvar.ximg
         ret = -1
         if img_format == E_NPY:
-            ret = ximage.setImage_from_numpy(self.data)
+            if self._npdata is None:
+                raise XDPImageError("No image data: set the data property to a 2-D numpy array before loading")
+            try:
+                ret = ximage.setImage_from_numpy(self._npdata)
+            except (TypeError, ValueError, MemoryError) as e:
+                raise XDPImageError(f"Invalid numpy image: {e}") from e
 
         # load proprietory small header formatted image file
         if img_format == E_SH:

pyemaps-1.1.7/__version__.py

@@ -1 +0,0 @@
-__version__ = "1.1.7"

pyemaps-1.1.7/pyemaps.egg-info/requires.txt

@@ -1,3 +0,0 @@
-emaps>=1.1.1
-numpy>=1.21.2
-matplotlib>=3.2.1

pyemaps-1.1.7/pyproject.toml

@@ -1,7 +0,0 @@
-[build-system]
-requires = [
-    "setuptools", 
-    "wheel",
-    "numpy"
-]
-build-backend = "setuptools.build_meta"