DefDAP consistent with mtex/aztec for hcp

MechMicroMan · Dec 5, 2024 · 0ee0826 · 0ee0826
1 parent b299f35
commit 0ee0826
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Showing 3 changed files with 12 additions and 6 deletions.
diff --git a/defdap/__init__.py b/defdap/__init__.py
@@ -18,6 +18,7 @@
         'BCC': 'cubic_bcc',
         'HCP': 'hexagonal_withca',
     },
+    'ipf_triangle_convention': 'aztec'
 }
 
 anonymous_experiment = Experiment()
diff --git a/defdap/plotting.py b/defdap/plotting.py
@@ -1012,7 +1012,7 @@ def add_axis(self):
 
         elif self.plot_type == "IPF" and self.crystal_sym == "hexagonal":
 
-            triangle = 'aztec'
+            triangle = defaults['ipf_triangle_convention']
 
             if triangle == 'aztec':
                 # line between [0001] and [01-10] ([001] and [2-10])
@@ -1047,9 +1047,9 @@ def add_axis(self):
                 # label poles
                 self.label_point([0, 0, 1], '0001',
                                 pad_y=-0.012, va='top', ha='center', fontsize=12)
-                self.label_point([1, 0, 0], r'$2\bar{1}\bar{1}0$',
+                self.label_point([1, 0, 0], r'$\bar{1}2\bar{1}0$',
                                 pad_y=-0.012, va='top', ha='center', fontsize=12)
-                self.label_point([np.sqrt(3), 1, 0], r'$10\bar{1}0$',
+                self.label_point([np.sqrt(3), 1, 0], r'$\bar{1}100$',
                                 pad_y=0.009, va='bottom', ha='center', fontsize=12)
 
         else:

diff --git a/defdap/quat.py b/defdap/quat.py
@@ -16,6 +16,7 @@
 import numpy as np
 
 from defdap import plotting
+from defdap import defaults
 
 from typing import Union, Tuple, List, Optional
 
@@ -1053,9 +1054,13 @@ def calc_fund_dirs(
 
         elif sym_group == "hexagonal":
 
-            triangle = 'aztec'
+            triangle = defaults['ipf_triangle_convention']
+            convention = defaults['crystal_ortho_conv']
+
+            if convention.lower() in ['hkl', 'oi']:
+                beta += np.pi / 6
 
-            if triangle == 'aztec':
+            if triangle.lower() == 'aztec':
 
                 # first beta should be between 0 and 30 deg leaving 1
                 # symmetric equivalent per orientation
@@ -1067,7 +1072,7 @@ def calc_fund_dirs(
                     trial_poles = np.logical_and(beta >= delta_beta,
                                                 beta <= - (np.pi / 6 + delta_beta))
 
-            if triangle == 'mtex':
+            if triangle.lower() == 'mtex':
 
                 # first beta should be between -30 and 0 deg leaving 1
                 # symmetric equivalent per orientation