From 529f57a2f778fbb164727e3385d0767d6321f238 Mon Sep 17 00:00:00 2001
From: Jan Janssen <janssen@lanl.gov>
Date: Tue, 16 May 2023 11:31:58 -0600
Subject: [PATCH 1/3] Empty init file for quicker import

---
 structuretoolkit/__init__.py | 70 ------------------------------------
 1 file changed, 70 deletions(-)

diff --git a/structuretoolkit/__init__.py b/structuretoolkit/__init__.py
index 666658d3d..e69de29bb 100644
--- a/structuretoolkit/__init__.py
+++ b/structuretoolkit/__init__.py
@@ -1,70 +0,0 @@
-# Analyse
-from structuretoolkit.analyse import (
-    get_distances_array,
-    find_mic,
-    get_neighbors,
-    get_neighborhood,
-    get_equivalent_atoms,
-    get_steinhardt_parameters,
-    get_centro_symmetry_descriptors,
-    get_diamond_structure_descriptors,
-    get_adaptive_cna_descriptors,
-    get_voronoi_volumes,
-    find_solids,
-    get_mean_positions,
-    get_average_of_unique_labels,
-    get_interstitials,
-    get_layers,
-    get_voronoi_vertices,
-    get_voronoi_neighbors,
-    get_delaunay_neighbors,
-    get_cluster_positions,
-    get_strain,
-    get_symmetry,
-    # for backwards compatibility
-    get_cluster_positions as cluster_positions,
-    get_equivalent_atoms as analyse_phonopy_equivalent_atoms,
-    get_steinhardt_parameters as get_steinhardt_parameter_structure,
-    get_centro_symmetry_descriptors as analyse_centro_symmetry,
-    get_diamond_structure_descriptors as analyse_diamond_structure,
-    get_adaptive_cna_descriptors as analyse_cna_adaptive,
-    get_voronoi_volumes as analyse_voronoi_volume,
-    find_solids as analyse_find_solids,
-)
-
-# Build
-from structuretoolkit.build import (
-    grainboundary,
-    get_grainboundary_info,
-    B2,
-    C14,
-    C15,
-    C36,
-    D03,
-    sqs_structures,
-    high_index_surface,
-    get_high_index_surface_info,
-    # for backwards compatibility
-    grainboundary as grainboundary_build,
-    get_grainboundary_info as grainboundary_info,
-    sqs_structures as get_sqs_structures,
-    get_high_index_surface_info as high_index_surface_info,
-)
-
-# Visualize
-from structuretoolkit.visualize import plot3d
-
-# Common
-from structuretoolkit.common import (
-    ase_to_pymatgen,
-    pymatgen_to_ase,
-    ase_to_pyscal,
-    get_atomic_numbers,
-    get_extended_positions,
-    get_vertical_length,
-    get_wrapped_coordinates,
-    select_index,
-    center_coordinates_in_unit_cell,
-    apply_strain,
-    SymmetryError,
-)

From e9c7e3cf78da2a3e4761ab3453c47d8f9b97f1fe Mon Sep 17 00:00:00 2001
From: Jan Janssen <janssen@lanl.gov>
Date: Tue, 16 May 2023 11:36:11 -0600
Subject: [PATCH 2/3] import only core modules

---
 structuretoolkit/__init__.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/structuretoolkit/__init__.py b/structuretoolkit/__init__.py
index e69de29bb..01b16b840 100644
--- a/structuretoolkit/__init__.py
+++ b/structuretoolkit/__init__.py
@@ -0,0 +1,4 @@
+from structuretoolkit import analyse
+from structuretoolkit import common
+from structuretoolkit import build
+from structuretoolkit import visualize

From 8015629b639899c64f4a2b35d781ead0afb2b9c4 Mon Sep 17 00:00:00 2001
From: Jan Janssen <janssen@lanl.gov>
Date: Tue, 16 May 2023 11:39:16 -0600
Subject: [PATCH 3/3] Bug Fix

---
 tests/test_analyse.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/test_analyse.py b/tests/test_analyse.py
index a9c3dc337..b39dacf58 100644
--- a/tests/test_analyse.py
+++ b/tests/test_analyse.py
@@ -106,7 +106,7 @@ def test_get_interstitials_bcc(self):
             ).min(axis=0).sum(), 0
         )
         int_tetra = stk.analyse.get_interstitials(structure=bcc, num_neighbors=4)
-        x_tetra_ref = stk.common.get_wrapped_coordinates(structure=bcc, positions=stk.get_voronoi_vertices(structure=bcc))
+        x_tetra_ref = stk.common.get_wrapped_coordinates(structure=bcc, positions=stk.analyse.get_voronoi_vertices(structure=bcc))
         self.assertEqual(len(int_tetra.positions), len(x_tetra_ref))
         self.assertAlmostEqual(
             np.linalg.norm(