From 554760daa97161f7de38b69a2afd4897d2020976 Mon Sep 17 00:00:00 2001
From: David Wallace <mypydavid@proton.me>
Date: Sun, 10 Mar 2024 21:39:23 +0100
Subject: [PATCH] tests: add test for base peak
---
src/raman_fitting/config/base_settings.py | 8 +++++
.../models/deconvolution/base_peak.py | 34 -------------------
tests/conftest.py | 5 +++
tests/models/test_base_peak.py | 34 +++++++++++++++++++
4 files changed, 47 insertions(+), 34 deletions(-)
create mode 100644 tests/models/test_base_peak.py
diff --git a/src/raman_fitting/config/base_settings.py b/src/raman_fitting/config/base_settings.py
index 424fb6e..f8b6d6b 100644
--- a/src/raman_fitting/config/base_settings.py
+++ b/src/raman_fitting/config/base_settings.py
@@ -16,6 +16,7 @@
)
from .default_models import load_config_from_toml_files
from .path_settings import create_default_package_dir_or_ask, InternalPathSettings
+from types import MappingProxyType
def get_default_models_and_peaks_from_definitions():
@@ -36,5 +37,12 @@ class Settings(BaseSettings):
init_var=False,
validate_default=False,
)
+ default_definitions: MappingProxyType | None = Field(
+ default_factory=load_config_from_toml_files,
+ alias="my_default_definitions",
+ init_var=False,
+ validate_default=False,
+ )
+
destination_dir: Path = Field(default_factory=create_default_package_dir_or_ask)
internal_paths: InternalPathSettings = Field(default_factory=InternalPathSettings)
diff --git a/src/raman_fitting/models/deconvolution/base_peak.py b/src/raman_fitting/models/deconvolution/base_peak.py
index 4d05344..4649b34 100644
--- a/src/raman_fitting/models/deconvolution/base_peak.py
+++ b/src/raman_fitting/models/deconvolution/base_peak.py
@@ -217,37 +217,3 @@ def get_peaks_from_peak_definitions(
for peak_name, peak_def in peak_type_defs.items():
peak_models[peak_name] = BasePeak(**peak_def)
return peak_models
-
-
-def _main():
- model_definitions = load_config_from_toml_files()
- print(model_definitions["first_order"]["models"])
- peaks = {}
- peak_items = {
- **model_definitions["first_order"]["peaks"],
- **model_definitions["second_order"]["peaks"],
- }.items()
- for k, v in peak_items:
- peaks.update({k: BasePeak(**v)})
-
- peak_d = BasePeak(**model_definitions["first_order"]["peaks"]["D"])
- print(peak_d)
- model_items = {
- **model_definitions["first_order"]["models"],
- **model_definitions["second_order"]["models"],
- }.items()
- models = {}
- for model_name, model_comp in model_items:
- print(k, v)
- comps = model_comp.split("+")
- peak_comps = [peaks[i] for i in comps]
- lmfit_comp_model = sum(
- map(lambda x: x.lmfit_model, peak_comps), peak_comps.pop().lmfit_model
- )
- models[model_name] = lmfit_comp_model
- print(lmfit_comp_model)
- # breakpoint()
-
-
-if __name__ == "__main__":
- _main()
diff --git a/tests/conftest.py b/tests/conftest.py
index cef9296..9f95487 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -28,6 +28,11 @@ def example_files(internal_paths):
return example_files
+@pytest.fixture(autouse=True)
+def default_definitions(internal_paths):
+ return settings.default_definitions
+
+
@pytest.fixture(autouse=True)
def default_models(internal_paths):
return settings.default_models
diff --git a/tests/models/test_base_peak.py b/tests/models/test_base_peak.py
new file mode 100644
index 0000000..4be455c
--- /dev/null
+++ b/tests/models/test_base_peak.py
@@ -0,0 +1,34 @@
+from raman_fitting.models.deconvolution.base_peak import BasePeak
+
+
+def test_initialize_base_peaks(
+ default_definitions, default_models_first_order, default_models_second_order
+):
+ peaks = {}
+
+ peak_items = {
+ **default_definitions["first_order"]["peaks"],
+ **default_definitions["second_order"]["peaks"],
+ }.items()
+ for k, v in peak_items:
+ peaks.update({k: BasePeak(**v)})
+
+ peak_d = BasePeak(**default_definitions["first_order"]["peaks"]["D"])
+ assert (
+ peak_d.peak_name
+ == default_definitions["first_order"]["peaks"]["D"]["peak_name"]
+ )
+ assert (
+ peak_d.peak_type
+ == default_definitions["first_order"]["peaks"]["D"]["peak_type"]
+ )
+ assert (
+ peak_d.lmfit_model.components[0].prefix
+ == default_definitions["first_order"]["peaks"]["D"]["peak_name"] + "_"
+ )
+ assert (
+ peak_d.param_hints["center"].value
+ == default_definitions["first_order"]["peaks"]["D"]["param_hints"]["center"][
+ "value"
+ ]
+ )