Merge pull request #745 from HEXRD/cylindrical-detector-radius

Take into account radius for calibration params

hexrd/instrument/cylindrical_detector.py

@@ -33,6 +33,12 @@ def __init__(self, radius=49.51, **detector_kwargs):
         self._radius = radius
         super().__init__(**detector_kwargs)
 
+        # Add the radius to the calibration flags
+        self._calibration_flags = np.hstack(
+            (self._calibration_flags, np.zeros((1,), dtype=bool)),
+            dtype=bool,
+        )
+
     @property
     def detector_type(self):
         return 'cylindrical'
@@ -211,6 +217,11 @@ def pixel_tth_gradient(self, origin=ct.zeros_3):
     def pixel_eta_gradient(self, origin=ct.zeros_3):
         return _pixel_eta_gradient(origin=origin, **self._pixel_angle_kwargs)
 
+    @property
+    def calibration_parameters(self):
+        # Old style of calibration parameters. Include radius at the end.
+        return super().calibration_parameters + [self.radius]
+
     @property
     def caxis(self):
         # returns the cylinder axis

hexrd/instrument/hedm_instrument.py

@@ -1063,7 +1063,13 @@ def set_calibration_flags_to_lmfit_params(self, params_dict):
         flags = self.calibration_flags
         for i, name in enumerate(self.calibration_flags_to_lmfit_names):
             if name in params_dict:
-                params_dict[name].vary = flags[i]
+                param = params_dict[name]
+                if param.expr is not None:
+                    # Don't update the flags on anything with an expression,
+                    # because it is computed and should not be varied.
+                    continue
+
+                param.vary = flags[i]
 
     @property
     def calibration_flags(self):
@@ -1082,6 +1088,11 @@ def calibration_flags(self, x):
             npp = 6
             if panel.distortion is not None:
                 npp += len(panel.distortion.params)
+
+            if panel.detector_type == 'cylindrical':
+                # Add one for the radius
+                npp += 1
+
             panel.calibration_flags = x[ii:ii + npp]
         self._calibration_flags = x
 

tests/calibration/test_calibration.py

@@ -73,7 +73,9 @@ def test_calibration(calibration_dir, test_data_dir):
 
     calibrator = InstrumentCalibrator(
         *calibrators,
-        engineering_constraints='TARDIS',
+        # Engineering constraints were actually not being utilized before,
+        # due to a bug. Disable them for now.
+        # engineering_constraints='TARDIS',
         euler_convention=euler_convention,
     )