Merge pull request #2048 from kif/notebook-calibration

improvements for the calibration from the notebook

src/pyFAI/gui/cli_calibration.py

@@ -37,7 +37,7 @@
 __contact__ = "[email protected]"
 __license__ = "MIT"
 __copyright__ = "European Synchrotron Radiation Facility, Grenoble, France"
-__date__ = "20/04/2022"
+__date__ = "19/01/2024"
 __status__ = "production"
 
 import os
@@ -561,14 +561,16 @@ def preprocess(self):
         else:
             self.peakPicker.massif.init_valley_size()
 
-    def extract_cpt(self, method="massif", pts_per_deg=1.0):
+    def extract_cpt(self, method="massif", pts_per_deg=1.0, max_rings=numpy.iinfo(int).max):
         """
         Performs an automatic keypoint extraction:
         Can be used in recalib or in calib after a first calibration has been performed.
 
         :param method: method for keypoint extraction
         :param pts_per_deg: number of control points per azimuthal degree (increase for better precision)
+        :param max_rings: extract at most max_rings
         """
+
         logger.info("in extract_cpt with method %s", method)
         assert self.ai
         assert self.calibrant
@@ -605,13 +607,13 @@ def extract_cpt(self, method="massif", pts_per_deg=1.0):
             self.max_rings = tth.size
 
         ms = marchingsquares.MarchingSquaresMergeImpl(ttha, self.mask, use_minmax_cache=True)
-
         for i in range(tth.size):
-            if rings >= self.max_rings:
+            if rings >= min(self.max_rings, max_rings):
                 break
             mask = numpy.logical_and(ttha >= tth_min[i], ttha < tth_max[i])
             if self.mask is not None:
                 mask = numpy.logical_and(mask, numpy.logical_not(self.mask))
+
             size = mask.sum(dtype=int)
             if (size > 0):
                 rings += 1
@@ -1350,31 +1352,39 @@ def reset_geometry(self, how="center", refine=False):
             self.geoRef.set_rot3_max(math.pi)
             self.geoRef.set_rot3(self.ai.rot3)
 
-    def initgeoRef(self):
+    def initgeoRef(self, defaults=None):
         """
         Tries to initialise the GeometryRefinement (dist, poni, rot)
-        Returns a dictionary of key value pairs
+
+        :param: default parameters as a dict to be passed to constructor of GeometryRefinement
+        :return: initialized geometry refinement
         """
-        defaults = {"dist": 0.1, "poni1": 0.0, "poni2": 0.0,
-                    "rot1": 0.0, "rot2": 0.0, "rot3": 0.0}
+        if defaults is None:
+            defaults = {"dist": 0.1, "poni1": 0.0, "poni2": 0.0,
+                        "rot1": 0.0, "rot2": 0.0, "rot3": 0.0}
+        else:
+            defaults = defaults.copy()
         if self.detector:
-            try:
-                p1, p2, _p3 = self.detector.calc_cartesian_positions()
-                defaults["poni1"] = p1.max() / 2.
-                defaults["poni2"] = p2.max() / 2.
-            except Exception as err:
-                logger.warning(err)
+            if not (defaults.get("poni1") or defaults.get("poni2")):
+                try:
+                    p1, p2, _p3 = self.detector.calc_cartesian_positions()
+                    defaults["poni1"] = p1.max() / 2.
+                    defaults["poni2"] = p2.max() / 2.
+                except Exception as err:
+                    logger.warning(err)
+            defaults["detector"] = self.detector
         if self.ai:
             for key in defaults.keys():  # not PARAMETERS which holds wavelength
                 val = getattr(self.ai, key, None)
                 if val is not None:
                     defaults[key] = val
-
-        georef = GeometryRefinement(self.data,
-                                    detector=self.detector,
-                                    wavelength=self.wavelength,
-                                    calibrant=self.calibrant,
-                                    **defaults)
+        if self.wavelength:
+            defaults["wavelength"] = self.wavelength
+        if self.calibrant:
+            defaults["calibrant"] = self.calibrant
+        if len(self.data):
+            defaults["data"] = self.data
+        georef = GeometryRefinement(**defaults)
         return  georef