From 69257c7346731aad55f9126428e28761c1c58c44 Mon Sep 17 00:00:00 2001
From: Daniel Hollarek <daniel.hollarek@googlemail.com>
Date: Tue, 28 May 2024 04:44:03 +0200
Subject: [PATCH] core: Re-merged labels and label tensor

---
 .../core/{labels/label.py => labels.py}       | 43 ++++++++++++++++-
 xrdpattern/core/labels/__init__.py            |  2 -
 xrdpattern/core/labels/label_tensor.py        | 48 -------------------
 3 files changed, 42 insertions(+), 51 deletions(-)
 rename xrdpattern/core/{labels/label.py => labels.py} (75%)
 delete mode 100644 xrdpattern/core/labels/__init__.py
 delete mode 100644 xrdpattern/core/labels/label_tensor.py

diff --git a/xrdpattern/core/labels/label.py b/xrdpattern/core/labels.py
similarity index 75%
rename from xrdpattern/core/labels/label.py
rename to xrdpattern/core/labels.py
index 2b7b0aa..dfcab7e 100644
--- a/xrdpattern/core/labels/label.py
+++ b/xrdpattern/core/labels.py
@@ -3,10 +3,10 @@
 from dataclasses import dataclass
 
 import torch
+from torch import Tensor
 
 from xrdpattern.core.structure import Angles, Lengths
 from xrdpattern.core.structure import CrystalStructure, CrystalBase, AtomicSite
-
 # ---------------------------------------------------------
 
 NUM_SPACEGROUPS = 230
@@ -151,3 +151,44 @@ class PowderProperties:
     crystallite_size: float = 500
     temp_in_kelvin : int = 293
 
+
+class LabelTensor(Tensor):
+    example_powder_experiment: PatternLabel = PatternLabel.make_empty()
+
+    def new_empty(self, *sizes, dtype=None, device=None, requires_grad=False):
+        dtype = dtype if dtype is not None else self.dtype
+        device = device if device is not None else self.device
+        return LabelTensor(torch.empty(*sizes, dtype=dtype, device=device, requires_grad=requires_grad))
+
+    @staticmethod
+    def __new__(cls, tensor) -> LabelTensor:
+        return torch.Tensor.as_subclass(tensor, cls)
+
+    #noinspection PyTypeChecker
+    def get_lattice_params(self) -> LabelTensor:
+        region = self.example_powder_experiment.lattice_param_region
+        return self[..., region.start:region.end]
+
+    # noinspection PyTypeChecker
+    def get_atomic_site(self, index: int) -> LabelTensor:
+        region = self.example_powder_experiment.atomic_site_regions[index]
+        return self[..., region.start:region.end]
+
+    # noinspection PyTypeChecker
+    def get_spacegroups(self) -> LabelTensor:
+        region = self.example_powder_experiment.spacegroup_region
+        return self[..., region.start:region.end]
+
+    # noinspection PyTypeChecker
+    def get_artifacts(self) -> LabelTensor:
+        region = self.example_powder_experiment.artifacts_region
+        return self[..., region.start:region.end]
+
+    # noinspection PyTypeChecker
+    def get_domain(self) -> LabelTensor:
+        region = self.example_powder_experiment.domain_region
+        return self[..., region.start:region.end]
+
+    # noinspection PyTypeChecker
+    def to_sample(self) -> PatternLabel:
+        raise NotImplementedError
diff --git a/xrdpattern/core/labels/__init__.py b/xrdpattern/core/labels/__init__.py
deleted file mode 100644
index 4ecab1e..0000000
--- a/xrdpattern/core/labels/__init__.py
+++ /dev/null
@@ -1,2 +0,0 @@
-from .label import PatternLabel, Artifacts, PowderProperties
-from .label_tensor import LabelTensor
diff --git a/xrdpattern/core/labels/label_tensor.py b/xrdpattern/core/labels/label_tensor.py
deleted file mode 100644
index b95d881..0000000
--- a/xrdpattern/core/labels/label_tensor.py
+++ /dev/null
@@ -1,48 +0,0 @@
-from __future__ import annotations
-
-import torch
-from torch import Tensor
-
-from xrdpattern.core.labels import PatternLabel
-
-
-class LabelTensor(Tensor):
-    example_powder_experiment: PatternLabel = PatternLabel.make_empty()
-
-    def new_empty(self, *sizes, dtype=None, device=None, requires_grad=False):
-        dtype = dtype if dtype is not None else self.dtype
-        device = device if device is not None else self.device
-        return LabelTensor(torch.empty(*sizes, dtype=dtype, device=device, requires_grad=requires_grad))
-
-    @staticmethod
-    def __new__(cls, tensor) -> LabelTensor:
-        return torch.Tensor.as_subclass(tensor, cls)
-
-    #noinspection PyTypeChecker
-    def get_lattice_params(self) -> LabelTensor:
-        region = self.example_powder_experiment.lattice_param_region
-        return self[..., region.start:region.end]
-
-    # noinspection PyTypeChecker
-    def get_atomic_site(self, index: int) -> LabelTensor:
-        region = self.example_powder_experiment.atomic_site_regions[index]
-        return self[..., region.start:region.end]
-
-    # noinspection PyTypeChecker
-    def get_spacegroups(self) -> LabelTensor:
-        region = self.example_powder_experiment.spacegroup_region
-        return self[..., region.start:region.end]
-
-    # noinspection PyTypeChecker
-    def get_artifacts(self) -> LabelTensor:
-        region = self.example_powder_experiment.artifacts_region
-        return self[..., region.start:region.end]
-
-    # noinspection PyTypeChecker
-    def get_domain(self) -> LabelTensor:
-        region = self.example_powder_experiment.domain_region
-        return self[..., region.start:region.end]
-
-    # noinspection PyTypeChecker
-    def to_sample(self) -> PatternLabel:
-        raise NotImplementedError