nxs-analysis-tools 0.0.16__tar.gz → 0.0.18__tar.gz

{nxs-analysis-tools-0.0.16/src/nxs_analysis_tools.egg-info → nxs-analysis-tools-0.0.18}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: nxs-analysis-tools
-Version: 0.0.16
+Version: 0.0.18
 Summary: Reduce and transform nexus format (.nxs) scattering data.
 Author-email: "Steven J. Gomez Alvarado" <stevenjgomez@ucsb.edu>
 License: MIT License

{nxs-analysis-tools-0.0.16 → nxs-analysis-tools-0.0.18}/pyproject.toml

@@ -6,7 +6,7 @@ build-backend = 'setuptools.build_meta'
 
 [project]
 name = 'nxs-analysis-tools'
-version = '0.0.16'
+version = '0.0.18'
 description = 'Reduce and transform nexus format (.nxs) scattering data.'
 readme = 'README.md'
 requires-python = '>=3.7'

{nxs-analysis-tools-0.0.16 → nxs-analysis-tools-0.0.18}/src/_meta/__init__.py

@@ -6,5 +6,5 @@ __author__ = 'Steven J. Gomez Alvarado'
 __email__ = 'stevenjgomez@ucsb.edu'
 __copyright__ = f"2023, {__author__}"
 __license__ = 'MIT'
-__version__= '0.0.16'
+__version__= '0.0.18'
 __repo_url__ = 'https://github.com/stevenjgomez/nxs_analysis_tools'

{nxs-analysis-tools-0.0.16 → nxs-analysis-tools-0.0.18}/src/nxs_analysis_tools/chess.py

@@ -4,7 +4,6 @@ This module provides classes and functions for analyzing scattering datasets col
 plotting linecuts.
 '''
 import os
-from nexusformat.nexus import NXentry
 import matplotlib.pyplot as plt
 import matplotlib as mpl
 
@@ -19,7 +18,7 @@ class TempDependence():
         '''
         Initialize TempDependence class.
         '''
-        self.datasets=NXentry()
+        self.datasets={}
         self.folder=None
         self.temperatures=None
         self.scissors=None
@@ -40,7 +39,7 @@ class TempDependence():
         '''
         Clear the datasets stored in the TempDependence instance.
         '''
-        self.datasets=NXentry()
+        self.datasets={}
 
     def load_datasets(self, folder, file_ending='hkli.nxs', temperatures_list=None):
         '''
@@ -51,13 +50,12 @@ class TempDependence():
         folder : str
             The path to the folder where the datasets are located.
         file_ending : str, optional
-            The file ending of the datasets to be loaded. The default is 'hkli.nxs'.
+            The file extension of the datasets to be loaded. The default is 'hkli.nxs'.
         temperatures_list : list of int or None, optional
             The list of specific temperatures to load. If None, all available temperatures are
             loaded. The default is None.
         '''
-        self.folder = os.path.normpath(folder)
-
+        self.folder=os.path.normpath(folder)
         temperature_folders=[] # Empty list to store temperature folder names
         for item in os.listdir(self.folder):
             try:
@@ -68,28 +66,54 @@ class TempDependence():
         temperature_folders = [str(i) for i in temperature_folders] # Convert to strings
 
         print('Found temperature folders:')
-        [print('['+str(i)+'] '+folder for i,folder in temperature_folders)]
+        [print('['+str(i)+'] '+folder) for i,folder in enumerate(temperature_folders)]
 
         self.temperatures = temperature_folders
 
         if temperatures_list is not None:
-            temperature_folders = [str(t) for t in temperatures_list]
-        else:
-            temperature_folders = self.temperatures
-
-        self.temperatures = temperature_folders
+            self.temperatures = [str(t) for t in temperatures_list]
 
         # Load .nxs files
-        for temperature in temperature_folders:
-            for file in os.listdir(os.path.join(self.folder,temperature)):
+        for temperature in self.temperatures:
+            for file in os.listdir(os.path.join(self.folder, temperature)):
                 if file.endswith(file_ending):
-                    filepath = os.path.join(self.folder,temperature, file)
+                    filepath = os.path.join(self.folder, temperature, file)
                     print('-----------------------------------------------')
                     print('Loading ' + temperature + ' K indexed .nxs files...')
                     print('Found ' + filepath)
                     self.datasets[temperature] = load_data(filepath)
 
-    def cut_data(self, center, window, axis=None):
+        self.scissors = [Scissors() for _ in range(len(self.datasets))]
+
+        for i,dataset in enumerate(self.datasets.values()):
+            self.scissors[i].set_data(dataset)
+
+    def set_window(self, window):
+        '''
+        Set the extents of the integration window.
+
+        Parameters
+        ----------
+        window : tuple
+            Extents of the window for integration along each axis.
+        '''
+        for i,scissors in enumerate(self.scissors):
+            print("----------------------------------")
+            print("T = " + self.temperatures[i] + " K")
+            scissors.set_window(window)
+
+    def set_center(self, center):
+        '''
+        Set the central coordinate for the linecut.
+
+        Parameters
+        ----------
+        center : tuple
+            Central coordinate around which to perform the linecut.
+        '''
+        [scissors.set_center(center) for scissors in self.scissors]
+
+    def cut_data(self, center=None, window=None, axis=None):
         '''
         Perform data cutting for each temperature dataset.
 
@@ -108,11 +132,13 @@ class TempDependence():
         list
             A list of linecuts obtained from the cutting operation.
         '''
-        self.scissors = [Scissors() for _ in range(len(self.temperatures))]
+
+        center = center if center is not None else self.scissors[0].center
+        window = window if window is not None else self.scissors[0].window
+
         for i,T in enumerate(self.temperatures):
             print("-------------------------------")
             print("Cutting T = " + T + " K data...")
-            self.scissors[i].set_data(self.datasets[T])
             self.scissors[i].cut_data(center, window, axis)
 
         self.linecuts = [scissors.linecut for scissors in self.scissors]
@@ -137,7 +163,7 @@ class TempDependence():
         for i, linecut in enumerate(self.linecuts):
             x_data = linecut[linecut.axes[0]].nxdata
             y_data = linecut[linecut.signal].nxdata + i*vertical_offset
-            ax.plot(x_data, y_data, color=cmap(i / len(self.linecuts)), label=linecut.nxname,
+            ax.plot(x_data, y_data, color=cmap(i / len(self.linecuts)), label=self.temperatures[i],
             	**kwargs)
 
         xlabel_components = [self.linecuts[0].axes[0] if i == self.scissors[0].axis \
@@ -155,4 +181,23 @@ class TempDependence():
 
         # Create a new legend with reversed order
         plt.legend(handles, labels)
-        plt.show()
+
+        return fig,ax
+
+    def show_integration_window(self, temperature=None):
+        '''
+        Displays the integration window plot for a specific temperature or for all temperatures if
+        none is provided.
+
+        Parameters
+        ----------
+        temperature : str, optional
+            The temperature at which to display the integration window plot. If provided, the plot
+            will be generated using the dataset corresponding to the specified temperature. If not
+            provided, the integration window plots will be generated for all available
+            temperatures.
+        '''
+        if temperature is not None:
+            self.scissors[0].show_integration_window(data=self.datasets[temperature])
+        else:
+            self.scissors[0].show_integration_window(data=self.datasets[self.temperatures[0]])

{nxs-analysis-tools-0.0.16 → nxs-analysis-tools-0.0.18}/src/nxs_analysis_tools/datareduction.py

@@ -354,7 +354,7 @@ class Scissors():
 
         Parameters
         ----------
-        center : tuple or None
+        center : tuple
             Central coordinate around which to perform the linecut.
         '''
         self.center = center
@@ -365,7 +365,7 @@ class Scissors():
 
         Parameters
         ----------
-        window : tuple or None
+        window : tuple
             Extents of the window for integration along each axis.
         '''
         self.window = window
@@ -444,11 +444,21 @@ class Scissors():
 
         return self.linecut
 
-    def show_integration_window(self, label=None, **kwargs):
+    def show_integration_window(self, data=None, label=None, **kwargs):
         '''
         Plots integration window highlighted on 2D heatmap full dataset.
+
+        Parameters
+        ----------
+        data : array-like, optional
+            The 2D heatmap dataset to plot. If not provided, the dataset stored in `self.data` will be used.
+        label : str, optional
+            The label for the integration window plot.
+        **kwargs : keyword arguments, optional
+            Additional keyword arguments to customize the plot.
+
         '''
-        data = self.data
+        data = self.data if data is None else data
         axis = self.axis
         center = self.center
         window = self.window

{nxs-analysis-tools-0.0.16 → nxs-analysis-tools-0.0.18/src/nxs_analysis_tools.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: nxs-analysis-tools
-Version: 0.0.16
+Version: 0.0.18
 Summary: Reduce and transform nexus format (.nxs) scattering data.
 Author-email: "Steven J. Gomez Alvarado" <stevenjgomez@ucsb.edu>
 License: MIT License