Merge branch 'updates' into 'master'

Collection of small updates

Closes #7, #6, #8, and #5

See merge request SCS/tzpgcalc!14

setup.py

 from setuptools import setup, find_packages
 
+install_requires = [pandas, scipy, sympy, matplotlib, ipywidgets]
+
 setup(name='TZPGcalc',
       version=1.0,
       description='TZPG calculator for SCS',
@@ -8,5 +10,6 @@ setup(name='TZPGcalc',
       url='https://in.xfel.eu/gitlab/SCS/tzpgcalc',
       packages=find_packages('src'),
       package_dir={'': 'src'},
+      install_requires=install_requires,
       python_requires='>=3.8'
       )

src/TZPGcalc/TZPGcalc.py

@@ -113,6 +113,13 @@ class TZPGcalc():
             for k in ['L', 'H']:
                 self.SpotSizes[d][k] = np.zeros((6, 2))
 
+        # spot center of all beams
+        self.SpotCenters = {}
+        for d in ['det', 'sam']:
+            self.SpotCenters[d] = {}
+            for k in ['L', 'H']:
+                self.SpotCenters[d][k] = np.zeros((6, 2))
+
         self.UpdateFig()
         display(self.control)
 
@@ -147,10 +154,10 @@ class TZPGcalc():
         self.ax_det.set_ylim([-20, 50])
 
         # red and blue shifted color of the beams
-        c_rr = hsv_to_rgb([0/360, 50/100, 100/100])
-        c_rb = hsv_to_rgb([40/360, 50/100, 100/100])
-        c_gr = hsv_to_rgb([95/360, 60/100, 100/100])
-        c_gb = hsv_to_rgb([145/360, 60/100, 100/100])
+        c_rr = hsv_to_rgb([10/360, 100/100, 70/100])
+        c_rb = hsv_to_rgb([220/360, 100/100, 70/100])
+        c_gr = hsv_to_rgb([10/360, 100/100, 100/100])
+        c_gb = hsv_to_rgb([220/360, 100/100, 100/100])
 
         self.samBeamsL = {
             'F0G0': self.ax_sam.add_patch(
@@ -216,11 +223,11 @@ class TZPGcalc():
             'module': self.ax_det.add_patch(
                 Rectangle((0, 0), 1, 1, fill=False, facecolor='k')),
             'Vfilter': self.ax_det.add_patch(
-                Rectangle((0, 0), 1, 1, facecolor="blue", alpha=0.4)),
+                Rectangle((0, 0), 1, 1, facecolor="green", alpha=0.4)),
             'Hfilter': self.ax_det.add_patch(
-                Rectangle((0, 0), 1, 1, facecolor="blue", alpha=0.4)),
+                Rectangle((0, 0), 1, 1, facecolor="green", alpha=0.4)),
             'diamond': self.ax_det.add_patch(
-                Rectangle((-8, -8), 16, 16, facecolor="blue", alpha=0.4,
+                Rectangle((-8, -8), 16, 16, facecolor="green", alpha=0.4,
                           angle=45))
                }
 
@@ -367,6 +374,8 @@ class TZPGcalc():
                 vs = corners[:, k]
                 self.SpotSizes[img['type']][conf['Energy']][z, k] = (
                     1e3*(np.max(vs) - np.min(vs)))
+                self.SpotCenters[img['type']][conf['Energy']][z, k] = (
+                    1e3*0.5*(np.max(vs) + np.min(vs)))
 
         # 3 beams configuration
         b = self.widgets['3beams'].value
@@ -554,6 +563,12 @@ class TZPGcalc():
                               columns=['H (um)', 'V (um)'])
             self.widgets[f'SpotSize{v}'].value = df.to_html(
                 float_format='{:.2f}'.format)
+            df = pd.DataFrame(self.SpotCenters['sam'][v],
+                              index=['F0G-1', 'F0G0', 'F0G1',
+                                     'F1G-1', 'F1G0', 'F1G1'],
+                              columns=['H (um)', 'V (um)'])
+            self.widgets[f'SpotCenter{v}'].value = df.to_html(
+                float_format='{:.2f}'.format)
 
         # update the detector
         detXoff = self.widgets['detX'].value*1e-3  # [m]
@@ -589,6 +604,19 @@ class TZPGcalc():
                              widgets.Label(value='High energy'),
                              self.widgets['SpotSizeH']])
                          ])
+        # Spot centers
+        self.widgets['SpotCenterL'] = widgets.HTML()
+        self.widgets['SpotCenterH'] = widgets.HTML()
+        SpotCenter = HBox([VBox([widgets.Label(value='Low energy'),
+                                 self.widgets['SpotCenterL']]),
+                           VBox([
+                               widgets.Label(value='High energy'),
+                               self.widgets['SpotCenterH']])
+                         ])
+        SpotSizeAndCenter = HBox([
+            VBox([widgets.Label(value='Spot Size'), SpotSize]),
+            VBox([widgets.Label(value='Spot center'), SpotCenter])
+            ])
 
         # Source
         self.Reset = widgets.Button(
@@ -715,7 +743,7 @@ class TZPGcalc():
             style=style,
             layout=layout
         )
-        self.widgets['TZPGwH'] = widgets.BoundedFloatText(
+        self.widgets['TZPGwV'] = widgets.BoundedFloatText(
             value=1.0,
             min=.1,
             max=3.0,
@@ -724,7 +752,7 @@ class TZPGcalc():
             style=style,
             layout=layout
         )
-        self.widgets['TZPGwV'] = widgets.BoundedFloatText(
+        self.widgets['TZPGwH'] = widgets.BoundedFloatText(
             value=1.0,
             min=.1,
             max=3.0,
@@ -771,11 +799,11 @@ class TZPGcalc():
                   self.widgets['3beams']]),
             HBox([self.widgets['dr_label_x'],
                   self.widgets['dr_label_y']]),
-            HBox([widgets.Label(value='Energy range (eV):'),
-                  self.widgets['nrjL'], self.widgets['nrjH']]),
-            HBox([widgets.Label(value='TZPG (mm):'),
+            HBox([widgets.Label(value='Optics (mm):'),
                   self.widgets['TZPGwH'],
-                  self.widgets['TZPGwV']])
+                  self.widgets['TZPGwV']]),
+            HBox([widgets.Label(value='Energy range (eV):'),
+                  self.widgets['nrjL'], self.widgets['nrjH']])
             ])
 
         # sample part
@@ -959,8 +987,8 @@ class TZPGcalc():
         tab3.set_title(0, 'Detector')
         tab3.selected_index = 0
 
-        tab4 = widgets.Accordion([SpotSize])
-        tab4.set_title(0, 'Spot sizes')
+        tab4 = widgets.Accordion([SpotSizeAndCenter])
+        tab4.set_title(0, 'Spot sizes and centers')
         tab4.selected_index = 0
 
         self.control = VBox([self.Update, tab0, tab1, tab2, tab3, tab4])