From c691fa17f36a930eeda554dc58b33a735341985b Mon Sep 17 00:00:00 2001
From: Patrick Avery <patrick.avery@kitware.com>
Date: Tue, 21 Nov 2023 15:16:27 -0600
Subject: [PATCH] Add property for point group number to material

The material's (or unitcell's) point group can now be accessed via
a `pgnum` property.

This also adds some dicts that store this info.

Signed-off-by: Patrick Avery <patrick.avery@kitware.com>
---
 hexrd/constants.py | 3 +++
 hexrd/material.py  | 5 +++++
 hexrd/unitcell.py  | 8 ++++++++
 3 files changed, 16 insertions(+)

diff --git a/hexrd/constants.py b/hexrd/constants.py
index 409e4953a..fa92fbcc7 100644
--- a/hexrd/constants.py
+++ b/hexrd/constants.py
@@ -1159,6 +1159,9 @@ def is_writable_file(path):
     'td': '2dm',
     'oh': '3dgh'
 }
+# The above dict must be in the correct order for this to work
+SYM_PG_to_PGNUM = {pg: i + 1 for i, pg in enumerate(SYM_GL_PG)}
+SYM_PGNUM_to_PG = {v: k for k, v in SYM_PG_to_PGNUM.items()}
 
 # Set the __version__ variable
 try:
diff --git a/hexrd/material.py b/hexrd/material.py
index ff2802edc..029cbe52b 100644
--- a/hexrd/material.py
+++ b/hexrd/material.py
@@ -852,6 +852,11 @@ def _set_sgnum(self, v):
 
     sgnum = property(_get_sgnum, _set_sgnum, None,
                      "Space group number")
+
+    @property
+    def pgnum(self):
+        return self.unitcell.pgnum
+
     # property:  beamEnergy
 
     def _get_beamEnergy(self):
diff --git a/hexrd/unitcell.py b/hexrd/unitcell.py
index 8dd72ff08..094981dc2 100644
--- a/hexrd/unitcell.py
+++ b/hexrd/unitcell.py
@@ -1661,6 +1661,14 @@ def sgnum(self, val):
         self.CalcDensity()
         self.calc_absorption_length()
 
+    @property
+    def pgnum(self):
+        return constants.SYM_PG_to_PGNUM[self.point_group]
+
+    @property
+    def point_group(self):
+        return self._pointGroup
+
     @property
     def atom_pos(self):
         return self._atom_pos