From 6456d87d475d2a2753374e9ba05e1f5fb98061e1 Mon Sep 17 00:00:00 2001
From: liamhuber <liamhuber@greyhavensolutions.com>
Date: Thu, 7 Sep 2023 09:49:21 -0700
Subject: [PATCH] Provide a shortcut to ase.build

So that we can do common stk operations using a single import. Tests and readme are updated accordingly
---
 README.md                          |  4 ++--
 structuretoolkit/build/__init__.py |  3 ++-
 tests/test_ase.py                  | 14 ++++++++++++++
 3 files changed, 18 insertions(+), 3 deletions(-)
 create mode 100644 tests/test_ase.py

diff --git a/README.md b/README.md
index cbf5ee448..aa6117117 100644
--- a/README.md
+++ b/README.md
@@ -14,9 +14,8 @@ The `structuretoolkit` is currently under development.
 
 ```python
 import structuretoolkit as stk
-from ase.build import bulk
 
-structure = bulk("Al", cubic=True)
+structure = stk.build.ase.bulk("Al", cubic=True)
 stk.analyse.get_adaptive_cna_descriptors(structure)
 stk.plot3d(structure)
 ```
@@ -43,6 +42,7 @@ stk.plot3d(structure)
 * `stk.analyse.get_strain()`
 
 ### Build
+* `stk.build.ase` (Merely a shortcut to the `ase.build` module)
 * `stk.build.get_grainboundary_info()`
 * `stk.build.grainboundary()`
 * `stk.build.high_index_surface()`
diff --git a/structuretoolkit/build/__init__.py b/structuretoolkit/build/__init__.py
index 27251a9a5..680932835 100644
--- a/structuretoolkit/build/__init__.py
+++ b/structuretoolkit/build/__init__.py
@@ -1,3 +1,4 @@
+from ase import build as ase  # Just a shortcut structuretoolkit.build.ase == ase.build
 from structuretoolkit.build.aimsgb import (
     grainboundary,
     get_grainboundary_info
@@ -8,4 +9,4 @@
 from structuretoolkit.build.surface import (
     high_index_surface,
     get_high_index_surface_info
-)
\ No newline at end of file
+)
diff --git a/tests/test_ase.py b/tests/test_ase.py
new file mode 100644
index 000000000..8ba21ed98
--- /dev/null
+++ b/tests/test_ase.py
@@ -0,0 +1,14 @@
+# coding: utf-8
+# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
+# Distributed under the terms of "New BSD License", see the LICENSE file.
+
+import unittest
+
+from ase import build
+
+from structuretoolkit.build import ase
+
+
+class TestAse(unittest.TestCase):
+    def test_build_shortcut(self):
+        self.assertIs(ase, build, msg="Our link should be a simple shortcut.")