nxs-analysis-tools 0.0.18__tar.gz → 0.0.20__tar.gz

{nxs-analysis-tools-0.0.18/src/nxs_analysis_tools.egg-info → nxs-analysis-tools-0.0.20}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: nxs-analysis-tools
-Version: 0.0.18
+Version: 0.0.20
 Summary: Reduce and transform nexus format (.nxs) scattering data.
 Author-email: "Steven J. Gomez Alvarado" <stevenjgomez@ucsb.edu>
 License: MIT License

{nxs-analysis-tools-0.0.18 → nxs-analysis-tools-0.0.20}/pyproject.toml

@@ -6,12 +6,13 @@ build-backend = 'setuptools.build_meta'
 
 [project]
 name = 'nxs-analysis-tools'
-version = '0.0.18'
+version = '0.0.20'
 description = 'Reduce and transform nexus format (.nxs) scattering data.'
 readme = 'README.md'
 requires-python = '>=3.7'
 license = { file = 'LICENSE' }
 authors = [{ name = 'Steven J. Gomez Alvarado', email = 'stevenjgomez@ucsb.edu' }]
+
 keywords = [
     'diffraction',
     'xrd',

{nxs-analysis-tools-0.0.18 → nxs-analysis-tools-0.0.20}/src/_meta/__init__.py

@@ -1,4 +1,4 @@
-'''MagentroPy package metadata.'''
+'''nxs-analysis-tools package metadata.'''
 
 # keep consistent with pyproject.toml
 __project__ = 'nxs-analysis-tools'
@@ -6,5 +6,5 @@ __author__ = 'Steven J. Gomez Alvarado'
 __email__ = 'stevenjgomez@ucsb.edu'
 __copyright__ = f"2023, {__author__}"
 __license__ = 'MIT'
-__version__= '0.0.18'
+__version__= '0.0.20'
 __repo_url__ = 'https://github.com/stevenjgomez/nxs_analysis_tools'

{nxs-analysis-tools-0.0.18 → nxs-analysis-tools-0.0.20}/src/nxs_analysis_tools/chess.py

@@ -4,6 +4,7 @@ This module provides classes and functions for analyzing scattering datasets col
 plotting linecuts.
 '''
 import os
+
 import matplotlib.pyplot as plt
 import matplotlib as mpl
 
@@ -14,6 +15,7 @@ class TempDependence():
     '''
     Class for analyzing scattering datasets collected at CHESS (ID4B) with temperature dependence.
     '''
+
     def __init__(self):
         '''
         Initialize TempDependence class.
@@ -21,8 +23,8 @@ class TempDependence():
         self.datasets={}
         self.folder=None
         self.temperatures=None
-        self.scissors=None
-        self.linecuts=None
+        self.scissors= {}
+        self.linecuts={}
 
     def get_folder(self):
         '''
@@ -81,40 +83,42 @@ class TempDependence():
                     print('-----------------------------------------------')
                     print('Loading ' + temperature + ' K indexed .nxs files...')
                     print('Found ' + filepath)
-                    self.datasets[temperature] = load_data(filepath)
 
-        self.scissors = [Scissors() for _ in range(len(self.datasets))]
+                    # Load dataset at each temperature
+                    self.datasets[temperature] = load_data(filepath)
 
-        for i,dataset in enumerate(self.datasets.values()):
-            self.scissors[i].set_data(dataset)
+                    # Initialize scissors object at each temperature
+                    self.scissors[temperature] = Scissors()
+                    self.scissors[temperature].set_data(self.datasets[temperature])
 
     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):
+        """
+        for T in self.temperatures:
             print("----------------------------------")
-            print("T = " + self.temperatures[i] + " K")
-            scissors.set_window(window)
+            print("T = " + T + " K")
+            self.scissors[T].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]
+        """
+        for T in self.temperatures:
+            self.scissors[T].set_center(center)
 
     def cut_data(self, center=None, window=None, axis=None):
-        '''
+        """
         Perform data cutting for each temperature dataset.
 
         Parameters
@@ -131,21 +135,20 @@ class TempDependence():
         -------
         list
             A list of linecuts obtained from the cutting operation.
-        '''
+        """
 
-        center = center if center is not None else self.scissors[0].center
-        window = window if window is not None else self.scissors[0].window
+        center = center if center is not None else self.scissors[self.temperatures[0]].center
+        window = window if window is not None else self.scissors[self.temperatures[0]].window
 
-        for i,T in enumerate(self.temperatures):
+        for T in self.temperatures:
             print("-------------------------------")
             print("Cutting T = " + T + " K data...")
-            self.scissors[i].cut_data(center, window, axis)
-
-        self.linecuts = [scissors.linecut for scissors in self.scissors]
+            self.scissors[T].cut_data(center, window, axis)
+            self.linecuts[T] = self.scissors[T].linecut
         return self.linecuts
 
     def plot_linecuts(self, vertical_offset=0, **kwargs):
-        '''
+        """
         Plot the linecuts obtained from data cutting.
 
         Parameters
@@ -154,23 +157,24 @@ class TempDependence():
             The vertical offset between linecuts on the plot. The default is 0.
         **kwargs
             Additional keyword arguments to be passed to the plot function.
-        '''
+        """
         fig, ax = plt.subplots()
 
         # Get the Viridis colormap
         cmap = mpl.colormaps.get_cmap('viridis')
 
-        for i, linecut in enumerate(self.linecuts):
+        for i, linecut in enumerate(self.linecuts.values()):
             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=self.temperatures[i],
             	**kwargs)
 
-        xlabel_components = [self.linecuts[0].axes[0] if i == self.scissors[0].axis \
-        	else str(c) for i,c in enumerate(self.scissors[0].center)]
+        xlabel_components = [self.linecuts[self.temperatures[0]].axes[0]
+                             if i == self.scissors[self.temperatures[0]].axis \
+                                 else str(c) for i,c in enumerate(self.scissors[self.temperatures[0]].center)]
         xlabel = ' '.join(xlabel_components)
         ax.set(xlabel=xlabel,
-                ylabel=self.linecuts[0].signal)
+                ylabel=self.linecuts[self.temperatures[0]].signal)
 
         # Get the current legend handles and labels
         handles, labels = plt.gca().get_legend_handles_labels()
@@ -184,9 +188,9 @@ class TempDependence():
 
         return fig,ax
 
-    def show_integration_window(self, temperature=None):
-        '''
-        Displays the integration window plot for a specific temperature or for all temperatures if
+    def highlight_integration_window(self, temperature=None, **kwargs):
+        """
+        Displays the integration window plot for a specific temperature, or for the first temperature if
         none is provided.
 
         Parameters
@@ -194,10 +198,39 @@ class TempDependence():
         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.
-        '''
+            provided, the integration window plots will be generated for the first temperature.
+        **kwargs : keyword arguments, optional
+            Additional keyword arguments to customize the plot.
+        """
+
         if temperature is not None:
-            self.scissors[0].show_integration_window(data=self.datasets[temperature])
+            p = self.scissors[self.temperatures[0]].highlight_integration_window(data=self.datasets[temperature],
+                                                                                 **kwargs)
         else:
-            self.scissors[0].show_integration_window(data=self.datasets[self.temperatures[0]])
+            p = self.scissors[self.temperatures[0]].highlight_integration_window(
+                data=self.datasets[self.temperatures[0]], **kwargs
+            )
+
+        return p
+
+    def plot_integration_window(self, temperature=None, **kwargs):
+        """
+        Plots the three principal cross-sections of the integration volume on a single figure for a specific
+        temperature, or for the first temperature if none is provided.
+
+        Parameters
+        ----------
+        temperature : str, optional
+            The temperature at which to plot the integration volume. 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 the first temperature.
+        **kwargs : keyword arguments, optional
+            Additional keyword arguments to customize the plot.
+        """
+
+        if temperature is not None:
+            p = self.scissors[self.temperatures[0]].plot_integration_window(**kwargs)
+        else:
+            p = self.scissors[self.temperatures[0]].plot_integration_window(**kwargs)
+
+        return p