Merge pull request #1914 from HEXRD/physics-package-sample-tilt

Specify sample tilt in physics package dialog

Author: psavery

hexrdgui/const_chi_overlay_editor.py

@@ -61,6 +61,7 @@ def setup_connections(self):
 
         HexrdConfig().euler_angle_convention_changed.connect(
             self.euler_angle_convention_changed)
+        HexrdConfig().sample_tilt_modified.connect(self.update_gui)
 
         self.ui.add_chi_value_row.clicked.connect(
             self.add_chi_value)

hexrdgui/hexrd_config.py

@@ -18,7 +18,7 @@
 from hexrd.instrument.constants import PHYSICS_PACKAGE_DEFAULTS, PINHOLE_DEFAULTS
 from hexrd.instrument.physics_package import HEDPhysicsPackage
 from hexrd.material import load_materials_hdf5, save_materials_hdf5, Material
-from hexrd.rotations import RotMatEuler
+from hexrd.rotations import angleAxisOfRotMat, RotMatEuler, rotMatOfExpMap
 from hexrd.utils.decorators import memoize
 from hexrd.utils.yaml import NumpyToNativeDumper
 from hexrd.valunits import valWUnit
@@ -713,6 +713,12 @@ def overlays_dictified(self, v):
                     # Skip over ones that do not have a matching material
                     continue
 
+            if overlay_dict.get('sample_rmat') is not None:
+                # Legacy way of setting sample rmat was on Laue overlays.
+                # Now we have a global setting for it. Apply this to the
+                # global setting.
+                self.sample_rmat = overlay_dict.pop('sample_rmat')
+
             if overlay_dict.get('tth_distortion_type') is not None:
                 if not self.has_physics_package:
                     # We need to create a default physics package
@@ -2175,6 +2181,15 @@ def sample_tilt(self, v):
         self._sample_tilt = v
         self.sample_tilt_modified.emit()
 
+    @property
+    def sample_rmat(self) -> np.ndarray:
+        return rotMatOfExpMap(self.sample_tilt)
+
+    @sample_rmat.setter
+    def sample_rmat(self, v: np.ndarray):
+        phi, n = angleAxisOfRotMat(v)
+        self.sample_tilt = phi * n.flatten()
+
     def _polar_pixel_size_tth(self):
         return self.config['image']['polar']['pixel_size_tth']
 

hexrdgui/laue_overlay_editor.py

@@ -47,6 +47,7 @@ def setup_connections(self):
             self.euler_angle_convention_changed)
         HexrdConfig().instrument_config_loaded.connect(
             self.update_visibility_states)
+        HexrdConfig().sample_tilt_modified.connect(self.update_gui)
 
     def setup_combo_boxes(self):
         width_shapes = [x.value.capitalize() for x in LaueRangeShape]
@@ -77,7 +78,6 @@ def update_gui(self):
             overlay = self.overlay
             self.ui.min_energy.setValue(overlay.min_energy)
             self.ui.max_energy.setValue(overlay.max_energy)
-            self.sample_rmat = overlay.sample_rmat
             self.crystal_params = overlay.crystal_params
             self.refinements = overlay.refinements
             self.width_shape = overlay.width_shape
@@ -90,6 +90,8 @@ def update_gui(self):
                 self.ui.tth_width.setValue(np.degrees(overlay.tth_width))
                 self.ui.eta_width.setValue(np.degrees(overlay.eta_width))
 
+            self.sample_rmat = HexrdConfig().sample_rmat
+
             self.update_enable_states()
             self.update_orientation_suffixes()
 
@@ -151,12 +153,13 @@ def update_config(self):
         overlay.tth_width = self.tth_width
         overlay.eta_width = self.eta_width
         overlay.width_shape = self.width_shape
-        overlay.sample_rmat = self.sample_rmat
         overlay.refinements = self.refinements
         overlay.label_type = self.label_type
         overlay.label_offsets = self.label_offsets
         overlay.xray_source = self.xray_source
 
+        HexrdConfig().sample_rmat = self.sample_rmat
+
         self.overlay.update_needed = True
         HexrdConfig().overlay_config_changed.emit()
 

hexrdgui/overlays/laue_overlay.py

@@ -4,7 +4,6 @@
 from numba import njit
 import numpy as np
 
-from hexrd import constants
 from hexrd.instrument import switch_xray_source
 from hexrd.transforms import xfcapi
 from hexrd.utils.hkl import hkl_to_str
@@ -27,7 +26,7 @@ class LaueOverlay(Overlay):
     data_key = 'spots'
     ranges_key = 'ranges'
 
-    def __init__(self, material_name, crystal_params=None, sample_rmat=None,
+    def __init__(self, material_name, crystal_params=None,
                  min_energy=5, max_energy=35, tth_width=None, eta_width=None,
                  width_shape=None, label_type=None, label_offsets=None,
                  **overlay_kwargs):
@@ -36,17 +35,13 @@ def __init__(self, material_name, crystal_params=None, sample_rmat=None,
         if crystal_params is None:
             crystal_params = default_crystal_params()
 
-        if sample_rmat is None:
-            sample_rmat = constants.identity_3x3.copy()
-
         if width_shape is None:
             width_shape = LaueRangeShape.ellipse
 
         if label_offsets is None:
             label_offsets = [1, 1]
 
         self.crystal_params = crystal_params
-        self.sample_rmat = sample_rmat
         self._min_energy = min_energy
         self._max_energy = max_energy
         self.tth_width = tth_width
@@ -61,7 +56,6 @@ def child_attributes_to_save(self):
         # arguments to the __init__ method.
         return [
             'crystal_params',
-            'sample_rmat',
             'min_energy',
             'max_energy',
             'tth_width',
@@ -128,15 +122,6 @@ def max_energy(self, x):
         assert x > self.min_energy
         self._max_energy = x
 
-    @property
-    def sample_rmat(self):
-        return self._sample_rmat
-
-    @sample_rmat.setter
-    def sample_rmat(self, x):
-        assert isinstance(x, np.ndarray), 'input must be a (3, 3) array'
-        self._sample_rmat = x
-
     @property
     def widths_enabled(self):
         widths = ['tth_width', 'eta_width']
@@ -234,7 +219,7 @@ def generate_overlay(self):
                 self.plane_data_no_exclusions,
                 minEnergy=self.min_energy,
                 maxEnergy=self.max_energy,
-                rmat_s=self.sample_rmat,
+                rmat_s=HexrdConfig().sample_rmat,
                 grain_params=[self.crystal_params, ])
 
         for det_key, psim in sim_data.items():
@@ -264,7 +249,7 @@ def generate_overlay(self):
             # !!! apply offset corrections to angles
             # convert to angles in LAB ref
             angles_corr, _ = xfcapi.detectorXYToGvec(
-                xy_data, panel.rmat, self.sample_rmat,
+                xy_data, panel.rmat, HexrdConfig().sample_rmat,
                 panel.tvec, instr.tvec, constants.zeros_3,
                 beamVec=instr.beam_vector,
                 etaVec=instr.eta_vector

hexrdgui/physics_package_manager_dialog.py

@@ -11,11 +11,18 @@
 from hexrdgui import resource_loader
 from hexrdgui.hexrd_config import HexrdConfig
 from hexrdgui.ui_loader import UiLoader
+from hexrdgui.utils import (
+    block_signals,
+    euler_angles_to_exp_map,
+    exp_map_to_euler_angles,
+)
 from hexrdgui.utils.guess_instrument_type import guess_instrument_type
 
 import hexrd.resources as hexrd_resources
 from hexrd.material import _angstroms, _kev, Material
+from hexrd.instrument import calc_beam_vec
 from hexrd.instrument.constants import FILTER_DEFAULTS, PINHOLE_DEFAULTS
+from hexrd.rotations import rotMatOfExpMap
 
 
 class PhysicsPackageManagerDialog:
@@ -41,6 +48,8 @@ def show(self, delete_if_canceled=False):
         self.delete_if_canceled = delete_if_canceled
         self.setup_form()
         self.draw_diagram()
+        self.reset_sample_tilt()
+        self.update_tilt_suffixes()
         self.ui.show()
 
     @property
@@ -96,6 +105,14 @@ def setup_connections(self):
         HexrdConfig().detectors_changed.connect(
             self.initialize_detector_coatings)
 
+        HexrdConfig().euler_angle_convention_changed.connect(
+            self.on_euler_angle_convention_changed)
+        HexrdConfig().sample_tilt_modified.connect(
+            self.reset_sample_tilt)
+
+        for w in self.sample_tilt_widgets:
+            w.valueChanged.connect(self.update_sample_normal)
+
         self.ui.accepted.connect(self.on_accepted)
         self.ui.rejected.connect(self.on_rejected)
 
@@ -108,6 +125,47 @@ def on_rejected(self):
 
         self.delete_if_canceled = False
 
+    def on_euler_angle_convention_changed(self):
+        self.update_tilt_suffixes()
+        self.reset_sample_tilt()
+
+    @property
+    def sample_tilt_widgets(self):
+        return [getattr(self.ui, f'sample_tilt_{i}') for i in range(3)]
+
+    @property
+    def sample_normal_widgets(self):
+        return [getattr(self.ui, f'sample_normal_{i}') for i in range(3)]
+
+    @property
+    def sample_rmat(self):
+        angles = [w.value() for w in self.sample_tilt_widgets]
+        return rotMatOfExpMap(euler_angles_to_exp_map(angles))
+
+    def update_tilt_suffixes(self):
+        suffix = '' if HexrdConfig().euler_angle_convention is None else '°'
+        for w in self.sample_tilt_widgets:
+            w.setSuffix(suffix)
+
+    def reset_sample_tilt(self):
+        angles = exp_map_to_euler_angles(HexrdConfig().sample_tilt)
+        with block_signals(*self.sample_tilt_widgets):
+            for w, v in zip(self.sample_tilt_widgets, angles):
+                w.setValue(v)
+
+        self.update_sample_normal()
+
+    def save_sample_tilt(self):
+        angles = [w.value() for w in self.sample_tilt_widgets]
+        HexrdConfig().sample_tilt = euler_angles_to_exp_map(angles)
+
+    def update_sample_normal(self):
+        d = HexrdConfig().active_beam['vector']
+        bvec = calc_beam_vec(d['azimuth'], d['polar_angle'])
+        sample_normal = np.dot(self.sample_rmat, [0., 0., np.sign(bvec[2])])
+        for w, v in zip(self.sample_normal_widgets, sample_normal):
+            w.setValue(v)
+
     def initialize_detector_coatings(self):
         # Reset detector coatings to make sure they're in sync w/ current dets
         HexrdConfig().detector_coatings_dictified = {}
@@ -295,6 +353,8 @@ def accept_changes(self):
 
         HexrdConfig().update_physics_package(**kwargs)
 
+        self.save_sample_tilt()
+
         if HexrdConfig().apply_absorption_correction:
             # Make sure changes are reflected
             HexrdConfig().deep_rerender_needed.emit()

hexrdgui/resources/ui/laue_overlay_editor.ui

@@ -170,6 +170,9 @@
         <property name="alignment">
          <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
         </property>
+        <property name="keyboardTracking">
+         <bool>false</bool>
+        </property>
         <property name="decimals">
          <number>8</number>
         </property>
@@ -186,6 +189,9 @@
         <property name="alignment">
          <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
         </property>
+        <property name="keyboardTracking">
+         <bool>false</bool>
+        </property>
         <property name="decimals">
          <number>8</number>
         </property>
@@ -202,6 +208,9 @@
         <property name="alignment">
          <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
         </property>
+        <property name="keyboardTracking">
+         <bool>false</bool>
+        </property>
         <property name="decimals">
          <number>8</number>
         </property>