From 853636f4677b9cc56657117d195844c832f4af3a Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Lo=C3=AFc=20Le=20Guyader?= <loic.le.guyader@xfel.eu>
Date: Tue, 15 Feb 2022 17:17:50 +0100
Subject: [PATCH] Adds spot center calculation

---
 doc/source/Interactive TZPG calculator.ipynb | 5600 +++++++++++++++++-
 src/TZPGcalc/TZPGcalc.py                     |   32 +-
 2 files changed, 5626 insertions(+), 6 deletions(-)

diff --git a/doc/source/Interactive TZPG calculator.ipynb b/doc/source/Interactive TZPG calculator.ipynb
index 5a166b4..7a6e8c8 100644
--- a/doc/source/Interactive TZPG calculator.ipynb	
+++ b/doc/source/Interactive TZPG calculator.ipynb	
@@ -53,9 +53,9 @@
     "\n",
     "The detector can be placed at various distance from the nominal interaction point and displaced laterally.\n",
     "\n",
-    "## Spot size\n",
+    "## Spot sizes and spot centers\n",
     "\n",
-    "Two table give the spot size at the sample position for the low and high energy bound of the calculation, for zone plate zero order **F0** which is unfocused by the zone plate but still focused by the KBS and the zone plate first order **F1**. In each case, the positive first **G1**, zero **G0** and negative first **G-1** grating order are also given."
+    "Two table give the spot size at the sample position for the low and high energy bound of the calculation, for zone plate zero order **F0** which is unfocused by the zone plate but still focused by the KBS and the zone plate first order **F1**. In each case, the positive first **G1**, zero **G0** and negative first **G-1** grating order are also given. In addition, two additional tables provides the beam centers such that the distances between beam can be quickly calculated."
    ]
   },
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@@ -1038,7 +1038,7 @@
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@@ -1052,7 +1052,7 @@
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-       "<TZPGcalc.TZPGcalc.TZPGcalc at 0x7f9f9853f1f0>"
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@@ -13939,6 +15408,18 @@
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@@ -14102,6 +15611,19 @@
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@@ -41158,6 +45446,12 @@
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+      "model_module": "@jupyter-widgets/controls",
+      "model_module_version": "1.5.0",
+      "model_name": "LabelModel",
+      "state": {
+       "layout": "IPY_MODEL_56ec24e77e8148eeb159d1e3c27429c7",
+       "style": "IPY_MODEL_fe0337e1454640df8308be4427cb934d",
+       "value": "Grating Pitch:379 nm"
+      }
+     },
      "fe37ef878dc34dbda374ed50b58976ca": {
       "model_module": "@jupyter-widgets/controls",
       "model_module_version": "1.5.0",
@@ -52366,6 +57916,20 @@
       "model_name": "LayoutModel",
       "state": {}
      },
+     "fe8a27bb0e4042cfbcc66e4e6111f978": {
+      "model_module": "@jupyter-widgets/controls",
+      "model_module_version": "1.5.0",
+      "model_name": "BoundedFloatTextModel",
+      "state": {
+       "description": "Z:",
+       "layout": "IPY_MODEL_f0db49e62d5d46c8b8cca89827c1d74d",
+       "max": 5800,
+       "min": 1000,
+       "step": 1,
+       "style": "IPY_MODEL_78b873227a644689959b6bbdb24b4486",
+       "value": 2000
+      }
+     },
      "fe9b30da901a4bb2b6aeea7c278070ff": {
       "model_module": "@jupyter-widgets/base",
       "model_module_version": "1.2.0",
@@ -52495,6 +58059,14 @@
        "layout": "IPY_MODEL_709b51df5ea34a629b82af6f76799400"
       }
      },
+     "ff2ef4d3f18f4a91932c880cec749373": {
+      "model_module": "@jupyter-widgets/controls",
+      "model_module_version": "1.5.0",
+      "model_name": "DescriptionStyleModel",
+      "state": {
+       "description_width": ""
+      }
+     },
      "ff3dcdac3a884084b957cfc92f200413": {
       "model_module": "@jupyter-widgets/controls",
       "model_module_version": "1.5.0",
@@ -52503,6 +58075,20 @@
        "description_width": ""
       }
      },
+     "ff4253add546479eb2de8effe5879e34": {
+      "model_module": "@jupyter-widgets/controls",
+      "model_module_version": "1.5.0",
+      "model_name": "DescriptionStyleModel",
+      "state": {
+       "description_width": "initial"
+      }
+     },
+     "ff4c5ffe73d846679acf881e58835c8d": {
+      "model_module": "@jupyter-widgets/base",
+      "model_module_version": "1.2.0",
+      "model_name": "LayoutModel",
+      "state": {}
+     },
      "ff4c6090397e4711844908bcc1240fac": {
       "model_module": "@jupyter-widgets/controls",
       "model_module_version": "1.5.0",
@@ -52718,6 +58304,12 @@
        "layout": "IPY_MODEL_b2c6250059694c1dbe592cb914396593"
       }
      },
+     "ffefe4efa7fb4e0fa77fe6d8c0b9db07": {
+      "model_module": "@jupyter-widgets/base",
+      "model_module_version": "1.2.0",
+      "model_name": "LayoutModel",
+      "state": {}
+     },
      "fff53d924f7148d59b7ef89124008453": {
       "model_module": "@jupyter-widgets/controls",
       "model_module_version": "1.5.0",
diff --git a/src/TZPGcalc/TZPGcalc.py b/src/TZPGcalc/TZPGcalc.py
index 4a21c16..59b2978 100644
--- a/src/TZPGcalc/TZPGcalc.py
+++ b/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)
 
@@ -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(
@@ -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])
-- 
GitLab