nxs-analysis-tools 0.0.17__py3-none-any.whl → 0.0.18__py3-none-any.whl

_meta/__init__.py

@@ -6,5 +6,5 @@ __author__ = 'Steven J. Gomez Alvarado'
 __email__ = 'stevenjgomez@ucsb.edu'
 __copyright__ = f"2023, {__author__}"
 __license__ = 'MIT'
-__version__= '0.0.17'
+__version__= '0.0.18'
 __repo_url__ = 'https://github.com/stevenjgomez/nxs_analysis_tools'

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=[]
+        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):
         '''
@@ -72,25 +71,21 @@ class TempDependence():
         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 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)
                     print('-----------------------------------------------')
                     print('Loading ' + temperature + ' K indexed .nxs files...')
                     print('Found ' + filepath)
-                    self.datasets.append(load_data(filepath))
+                    self.datasets[temperature] = load_data(filepath)
 
         self.scissors = [Scissors() for _ in range(len(self.datasets))]
 
-        for i,dataset in enumerate(self.datasets):
+        for i,dataset in enumerate(self.datasets.values()):
             self.scissors[i].set_data(dataset)
 
     def set_window(self, window):
@@ -168,7 +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 \
@@ -186,3 +181,23 @@ class TempDependence():
 
         # Create a new legend with reversed order
         plt.legend(handles, labels)
+
+        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/datareduction.py

@@ -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-0.0.17.dist-info → nxs_analysis_tools-0.0.18.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: nxs-analysis-tools
-Version: 0.0.17
+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-0.0.18.dist-info/RECORD

@@ -0,0 +1,10 @@
+_meta/__init__.py,sha256=4lwV6pfk3hMrZLgiaTqjWQUGRJkD7gAe9lPSfuZx2d4,343
+nxs_analysis_tools/__init__.py,sha256=guRgN90Lv_DgQ-S7lKWLpFkglFvIJGoDcmQ_pjHVRw0,372
+nxs_analysis_tools/chess.py,sha256=A3z1Uxw4pCblZMTWUAMOGU2fRrAMKs1479zIxSA2t4k,7520
+nxs_analysis_tools/datareduction.py,sha256=vyufWH9HmjK_0saUvTVV5RpM2h9oLFoLPeB1UhRKuQ4,18581
+nxs_analysis_tools/pairdistribution.py,sha256=b4ZvS37OjzTKw8TfRByYYglE__95vD5XoCZfK7b2JRg,3748
+nxs_analysis_tools-0.0.18.dist-info/LICENSE,sha256=tdnoYVH1-ogW_5-gGs9bK-IkCamH1ATJqrdL37kWTHk,1102
+nxs_analysis_tools-0.0.18.dist-info/METADATA,sha256=O6wRnMtqzQyMK_XU6JElfSLi9v6aRiCLfDKagO0Tu20,3844
+nxs_analysis_tools-0.0.18.dist-info/WHEEL,sha256=pkctZYzUS4AYVn6dJ-7367OJZivF2e8RA9b_ZBjif18,92
+nxs_analysis_tools-0.0.18.dist-info/top_level.txt,sha256=8U000GNPzo6T6pOMjRdgOSO5heMzLMGjkxa1CDtyMHM,25
+nxs_analysis_tools-0.0.18.dist-info/RECORD,,

nxs_analysis_tools-0.0.17.dist-info/RECORD

@@ -1,10 +0,0 @@
-_meta/__init__.py,sha256=9tfMxbWYPVflRmbX8HZvi1RSij8QccnuCOuEAGrQuVU,343
-nxs_analysis_tools/__init__.py,sha256=guRgN90Lv_DgQ-S7lKWLpFkglFvIJGoDcmQ_pjHVRw0,372
-nxs_analysis_tools/chess.py,sha256=zJm4pWOW9ZSf4qIS1oXRyrY-cGG2-1eKEfLfYDiir2Q,6800
-nxs_analysis_tools/datareduction.py,sha256=-g0Y6ZuLMsMc6salMXRRj0Rw0Y2ORNQZpy_is9QDmbM,18153
-nxs_analysis_tools/pairdistribution.py,sha256=b4ZvS37OjzTKw8TfRByYYglE__95vD5XoCZfK7b2JRg,3748
-nxs_analysis_tools-0.0.17.dist-info/LICENSE,sha256=tdnoYVH1-ogW_5-gGs9bK-IkCamH1ATJqrdL37kWTHk,1102
-nxs_analysis_tools-0.0.17.dist-info/METADATA,sha256=z2mdmM2xm6fl22MnHwoEflbkgZtu2nUnQkHmnr3DBYo,3844
-nxs_analysis_tools-0.0.17.dist-info/WHEEL,sha256=pkctZYzUS4AYVn6dJ-7367OJZivF2e8RA9b_ZBjif18,92
-nxs_analysis_tools-0.0.17.dist-info/top_level.txt,sha256=8U000GNPzo6T6pOMjRdgOSO5heMzLMGjkxa1CDtyMHM,25
-nxs_analysis_tools-0.0.17.dist-info/RECORD,,