added __all__ to __init__.py files

wolearyc · Oct 2, 2024 · 1f9ebbe · 1f9ebbe
1 parent d583e07
commit 1f9ebbe
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diff --git a/ramannoodle/dataset/torch/__init__.py b/ramannoodle/dataset/torch/__init__.py
@@ -3,3 +3,5 @@
 # flake8: noqa: F401
 from ramannoodle.dataset.torch.dataset import PolarizabilityDataset
 from ramannoodle.dataset.torch import utils
+
+__all__ = ["PolarizabilityDataset", "utils"]
diff --git a/ramannoodle/dynamics/__init__.py b/ramannoodle/dynamics/__init__.py
@@ -3,3 +3,5 @@
 # flake8: noqa: F401
 from ramannoodle.dynamics.phonon import Phonons
 from ramannoodle.dynamics.trajectory import Trajectory
+
+__all__ = ["Phonons", "Trajectory"]
diff --git a/ramannoodle/io/__init__.py b/ramannoodle/io/__init__.py
@@ -4,3 +4,5 @@
 from ramannoodle.io import generic
 from ramannoodle.io import vasp
 from ramannoodle.io import utils
+
+__all__ = ["generic", "vasp", "utils"]
diff --git a/ramannoodle/io/vasp/__init__.py b/ramannoodle/io/vasp/__init__.py
@@ -5,3 +5,5 @@
 from ramannoodle.io.vasp import poscar
 from ramannoodle.io.vasp import xdatcar
 from ramannoodle.io.vasp import vasprun
+
+__all__ = ["outcar", "poscar", "xdatcar", "vasprun"]
diff --git a/ramannoodle/pmodel/__init__.py b/ramannoodle/pmodel/__init__.py
@@ -3,3 +3,5 @@
 # flake8: noqa: F401
 from ramannoodle.pmodel.art import ARTModel
 from ramannoodle.pmodel.interpolation import InterpolationModel
+
+__all__ = ["ARTModel", "InterpolationModel"]
diff --git a/ramannoodle/pmodel/torch/__init__.py b/ramannoodle/pmodel/torch/__init__.py
@@ -4,3 +4,5 @@
 from ramannoodle.pmodel.torch.gnn import PotGNN
 from ramannoodle.pmodel.torch.train import train_single_epoch
 from ramannoodle.pmodel.torch import utils
+
+__all__ = ["PotGNN", "train_single_epoch", "utils"]
diff --git a/ramannoodle/spectrum/__init__.py b/ramannoodle/spectrum/__init__.py
@@ -6,3 +6,5 @@
     MDRamanSpectrum,
 )
 from ramannoodle.spectrum import utils
+
+__all__ = ["PhononRamanSpectrum", "MDRamanSpectrum", "utils"]
diff --git a/ramannoodle/structure/__init__.py b/ramannoodle/structure/__init__.py
@@ -10,3 +10,14 @@
 )
 from ramannoodle.structure import symmetry_utils
 from ramannoodle.structure import utils
+
+
+__all__ = [
+    "ReferenceStructure",
+    "write_ast_displaced_structures",
+    "get_ast_displaced_positions",
+    "write_displaced_structures",
+    "get_displaced_positions",
+    "symmetry_utils",
+    "utils",
+]
diff --git a/test/__init__.py b/test/__init__.py
@@ -2,3 +2,5 @@
 
 EPS_OUTCAR_NUM_ATOMS = 135
 PHONONS_OUTCAR_NUM_ATOMS = 108
+
+__all__ = ["EPS_OUTCAR_NUM_ATOMS", "PHONONS_OUTCAR_NUM_ATOMS"]
Original file line number	Diff line number	Diff line change
Expand Up		@@ -2,3 +2,5 @@

		EPS_OUTCAR_NUM_ATOMS = 135
		PHONONS_OUTCAR_NUM_ATOMS = 108

		__all__ = ["EPS_OUTCAR_NUM_ATOMS", "PHONONS_OUTCAR_NUM_ATOMS"]