-
+
diff --git a/docs/model_training-ngboost.ipynb b/docs/model_training-ngboost.ipynb
index 5f9b54c..bb77034 100644
--- a/docs/model_training-ngboost.ipynb
+++ b/docs/model_training-ngboost.ipynb
@@ -26,17 +26,10 @@
"import nrel.routee.powertrain as pt\n",
"\n",
"from nrel.routee.powertrain.trainers.ngboost_trainer import NGBoostTrainer\n",
- "from nrel.routee.powertrain.trainers.sklearn_random_forest import SklearnRandomForestTrainer\n",
"\n",
- "from nrel.routee.powertrain.estimators.ngboost_estimator import NGBoostEstimator\n",
"\n",
"import pandas as pd\n",
- "import numpy as np\n",
- "import matplotlib.pyplot as plt\n",
- "import time\n",
- "\n",
- "from sklearn.model_selection import train_test_split\n",
- "from sklearn.metrics import mean_squared_error, mean_absolute_error, r2_score\n"
+ "\n"
]
},
{
@@ -53,7 +46,6 @@
"metadata": {},
"outputs": [],
"source": [
- "import pandas as pd\n",
"\n",
"df = pd.read_csv(\"../tests/routee-powertrain-test-data/sample_train_data.csv\")"
]
diff --git a/nrel/routee/powertrain/__about__.py b/nrel/routee/powertrain/__about__.py
new file mode 100644
index 0000000..a955fda
--- /dev/null
+++ b/nrel/routee/powertrain/__about__.py
@@ -0,0 +1 @@
+__version__ = "1.2.1"
diff --git a/nrel/routee/powertrain/__init__.py b/nrel/routee/powertrain/__init__.py
index 53b2115..027f8c2 100644
--- a/nrel/routee/powertrain/__init__.py
+++ b/nrel/routee/powertrain/__init__.py
@@ -1,6 +1,21 @@
import logging
from pathlib import Path
+__all__ = [
+ "DataColumn",
+ "FeatureSet",
+ "Constraints",
+ "TargetSet",
+ "Model",
+ "ModelConfig",
+ "PowertrainType",
+ "list_available_models",
+ "load_model",
+ "load_sample_route",
+ "visualize_features",
+ "contour_plot",
+]
+
from .core.features import DataColumn, FeatureSet, Constraints, TargetSet
from .core.model import Model
from .core.model_config import ModelConfig
@@ -8,8 +23,6 @@
from .io.load import list_available_models, load_model, load_sample_route
from .validation.feature_visualization import visualize_features, contour_plot
-__version__ = "1.0.0"
-
log = logging.getLogger()
log.setLevel(logging.INFO)
diff --git a/nrel/routee/powertrain/core/metadata.py b/nrel/routee/powertrain/core/metadata.py
index d327022..f2e8367 100644
--- a/nrel/routee/powertrain/core/metadata.py
+++ b/nrel/routee/powertrain/core/metadata.py
@@ -33,7 +33,11 @@ def to_json(self) -> str:
@classmethod
def from_dict(cls, d: dict) -> Metadata:
v = get_version()
- if d["routee_version"] != v:
+ major_v = v.split(".")[0]
+
+ incoming_v = d["routee_version"]
+ incoming_major_v = incoming_v.split(".")[0]
+ if incoming_major_v != major_v:
warnings.warn(
"this model was trained using routee-powertrain version "
f"{d['routee_version']} but you're using version {v}"
diff --git a/nrel/routee/powertrain/core/model.py b/nrel/routee/powertrain/core/model.py
index 791963a..f058d9e 100644
--- a/nrel/routee/powertrain/core/model.py
+++ b/nrel/routee/powertrain/core/model.py
@@ -411,7 +411,7 @@ def __repr__(self) -> str:
for feature in feature_set.features:
summary_lines.append(f"Feature: {feature.name} ({feature.units})")
summary_lines.append(
- f"Distance: {config.distance.name} " f"({config.distance.units})"
+ f"Distance: {config.distance.name} ({config.distance.units})"
)
for target in config.target.targets:
summary_lines.append(f"Target: {target.name} ({target.units})")
diff --git a/nrel/routee/powertrain/core/model_config.py b/nrel/routee/powertrain/core/model_config.py
index ffdc7ac..489bf10 100644
--- a/nrel/routee/powertrain/core/model_config.py
+++ b/nrel/routee/powertrain/core/model_config.py
@@ -95,8 +95,9 @@ def __post_init__(self):
feature_set_ids = [f.features_id for f in self.feature_sets]
if len(feature_set_ids) != len(set(feature_set_ids)):
raise ValueError(
- "Feature sets must have unique ids. "
- "Found duplicate ids: {}".format(feature_set_ids)
+ "Feature sets must have unique ids. Found duplicate ids: {}".format(
+ feature_set_ids
+ )
)
# now check all the types
diff --git a/nrel/routee/powertrain/estimators/ngboost_estimator.py b/nrel/routee/powertrain/estimators/ngboost_estimator.py
index 9504a5f..dd3655e 100644
--- a/nrel/routee/powertrain/estimators/ngboost_estimator.py
+++ b/nrel/routee/powertrain/estimators/ngboost_estimator.py
@@ -1,13 +1,12 @@
from __future__ import annotations
-# from abc import ABC, abstractmethod
from pathlib import Path
-import joblib
import base64
import io
import json
import pandas as pd
-from ngboost import NGBRegressor
+
+from importlib.util import find_spec
from nrel.routee.powertrain.core.features import DataColumn, FeatureSet, TargetSet
from nrel.routee.powertrain.core.model_config import PredictMethod
@@ -15,7 +14,6 @@
class NGBoostEstimator(Estimator):
-
def __init__(self, ngboost) -> None:
self.model = ngboost
@@ -41,10 +39,23 @@ def to_file(self, filepath: str | Path):
json.dump(self.to_dict(), f)
@classmethod
- def from_dict(cls, in_dict: dict) -> "NGBRegressor":
+ def from_dict(cls, in_dict: dict) -> NGBoostEstimator:
"""
Load an estimator from a bytes object in memory
"""
+ if find_spec("ngboost") is None:
+ raise ImportError(
+ "The NGBoostEstimator estimator requires extra dependencies like joblib and ngboost. "
+ "To install, you can do pip install nrel.routee.powertrain[ngboost]"
+ )
+
+ if find_spec("joblib") is None:
+ raise ImportError(
+ "The NGBoostEstimator estimator requires extra dependencies like joblib and ngboost. "
+ "To install, you can do pip install nrel.routee.powertrain[ngboost]"
+ )
+ else:
+ import joblib
model_base64 = in_dict.get("ngboost_model")
@@ -60,6 +71,13 @@ def to_dict(self) -> dict:
"""
Serialize an estimator to a python dictionary
"""
+ try:
+ import joblib
+ except ImportError:
+ raise ImportError(
+ "The NGBoostEstimator estimator requires extra dependencies like joblib and ngboost. "
+ "To install, you can do pip install nrel.routee.powertrain[ngboost]"
+ )
byte_stream = io.BytesIO()
joblib.dump(self.model, byte_stream)
byte_stream.seek(0)
diff --git a/nrel/routee/powertrain/estimators/sklearn/__init__.py b/nrel/routee/powertrain/estimators/sklearn/__init__.py
index dab1975..a5bb962 100644
--- a/nrel/routee/powertrain/estimators/sklearn/__init__.py
+++ b/nrel/routee/powertrain/estimators/sklearn/__init__.py
@@ -1 +1,3 @@
from .estimator import SKLearnEstimator
+
+__all__ = ["SKLearnEstimator"]
diff --git a/nrel/routee/powertrain/trainers/ngboost_trainer.py b/nrel/routee/powertrain/trainers/ngboost_trainer.py
index 3edd58c..41b3cb4 100644
--- a/nrel/routee/powertrain/trainers/ngboost_trainer.py
+++ b/nrel/routee/powertrain/trainers/ngboost_trainer.py
@@ -1,8 +1,7 @@
-from enum import Enum
import pandas as pd
from ngboost import NGBRegressor
-from ngboost.distns import Exponential, Normal
+from ngboost.distns import Normal
from nrel.routee.powertrain.core.model_config import ModelConfig
@@ -21,7 +20,6 @@ def __init__(
learning_rate: float = 0.01,
random_state: int = 52,
):
-
self.n_estimators = n_estimators
self.dist = dist
self.verbose = verbose
diff --git a/nrel/routee/powertrain/utils/fs.py b/nrel/routee/powertrain/utils/fs.py
index af06f49..9fea999 100644
--- a/nrel/routee/powertrain/utils/fs.py
+++ b/nrel/routee/powertrain/utils/fs.py
@@ -13,7 +13,7 @@ def read(path: Path):
return fp.read()
-def get_version(path: Path = root() / "__init__.py"):
+def get_version(path: Path = root() / "__about__.py"):
with path.open("r") as fp:
for line in fp.readlines():
if line.startswith("__version__"):
diff --git a/nrel/routee/powertrain/validation/errors.py b/nrel/routee/powertrain/validation/errors.py
index 62af19c..66e7d71 100644
--- a/nrel/routee/powertrain/validation/errors.py
+++ b/nrel/routee/powertrain/validation/errors.py
@@ -5,7 +5,6 @@
import numpy as np
import pandas as pd
-from scipy.stats import norm
from nrel.routee.powertrain.core.features import FeatureSetId
from nrel.routee.powertrain.core.model_config import ModelConfig
@@ -85,6 +84,13 @@ def calculate_nll(target, target_pred, target_std) -> float:
"""
Calculate Negative Log-Likelihood (NLL).
"""
+ try:
+ from scipy.stats import norm
+ except ImportError:
+ raise ImportError(
+ "The calculate_nll function requires scipy. "
+ "To install, you can do pip install scipy"
+ )
nll = -np.mean(norm.logpdf(target, loc=target_pred, scale=target_std))
return nll
@@ -93,6 +99,13 @@ def calculate_crps(target, target_pred, target_std) -> float:
"""
Calculate Continuous Ranked Probability Score (CRPS).
"""
+ try:
+ from scipy.stats import norm
+ except ImportError:
+ raise ImportError(
+ "The calculate_nll function requires scipy. "
+ "To install, you can do pip install scipy"
+ )
# CDF of the predicted distribution
z = (target - target_pred) / target_std
crps = target_std * (
@@ -344,6 +357,13 @@ def compute_errors(
)
if isinstance(estimator, NGBoostEstimator):
+ try:
+ from scipy.stats import norm
+ except ImportError:
+ raise ImportError(
+ "The errors for the NGBoostEstimator requires other dependnecies like scipy. "
+ "To install, you can do `pip install nrel.routee.powertrain[ngboost]"
+ )
target_std = np.array(predictions[energy_name + "_std"])
alpha = 0.05
z = norm.ppf(1 - alpha / 2) # z-score for 95% confidence
diff --git a/pyproject.toml b/pyproject.toml
index 11e3f84..813e592 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,10 +1,10 @@
[build-system]
-requires = ["setuptools>=63.0.0", "wheel"]
-build-backend = "setuptools.build_meta"
+requires = ["hatchling"]
+build-backend = "hatchling.build"
[project]
name = "nrel.routee.powertrain"
-version = "1.2.0"
+dynamic = ["version"]
description = "RouteE-Powertrain is a tool for predicting energy usage over a set of road links."
readme = "README.md"
authors = [{ name = "National Renewable Energy Laboratory" }]
@@ -18,11 +18,11 @@ classifiers = [
"Topic :: Scientific/Engineering",
]
dependencies = ["pandas", "numpy", "onnx", "onnxruntime==1.18.1"]
-requires-python = ">=3.8"
+requires-python = ">=3.9"
[project.optional-dependencies]
-scikit = ["scikit-learn", "skl2onnx"]
-ngboost = ["ngboost"]
+scikit = ["scikit-learn==1.2.2", "skl2onnx"]
+ngboost = ["ngboost==0.5.2", "scikit-learn==1.2.2"]
plot = ["matplotlib"]
dev = [
"nrel.routee.powertrain[scikit]",
@@ -30,10 +30,10 @@ dev = [
"nrel.routee.powertrain[ngboost]",
"tqdm",
"pytest",
- "black",
"mypy",
"maturin",
"ruff",
+ "hatch",
"shapely",
"boxsdk",
"jupyter-book",
@@ -49,20 +49,70 @@ dev = [
[project.urls]
Homepage = "https://github.com/NREL/routee-powertrain"
-[tool.setuptools.packages.find]
-where = ["."] # list of folders that contain the packages (["."] by default)
-include = [
- "nrel*",
-] # package names should match these glob patterns (["*"] by default)
+[tool.hatch.version]
+path = "nrel/routee/powertrain/__about__.py"
-[tool.setuptools.package-data]
-"nrel.routee.powertrain" = ["py.typed"]
+[tool.hatch.build.targets.sdist]
+exclude = ["scripts/", "tests/", "docs/"]
-[tool.ruff.per-file-ignores]
-"__init__.py" = ["F401"]
+[tool.hatch.build.targets.wheel]
+packages = ["nrel/routee/powertrain"]
[tool.mypy]
ignore_missing_imports = true
namespace_packages = true
explicit_package_bases = true
exclude = ["docs/", "build/", "dist/"]
+
+[tool.ruff]
+include = ["nrel/**/*.py", "tests/*.py"]
+# Exclude a variety of commonly ignored directories.
+exclude = [
+ ".bzr",
+ ".direnv",
+ ".eggs",
+ ".git",
+ ".git-rewrite",
+ ".hg",
+ ".ipynb_checkpoints",
+ ".mypy_cache",
+ ".nox",
+ ".pants.d",
+ ".pyenv",
+ ".pytest_cache",
+ ".pytype",
+ ".ruff_cache",
+ ".svn",
+ ".tox",
+ ".venv",
+ ".vscode",
+ "__pypackages__",
+ "_build",
+ "buck-out",
+ "build",
+ "dist",
+ "node_modules",
+ "site-packages",
+ "venv",
+]
+
+# Same as Black.
+line-length = 88
+indent-width = 4
+
+# Assume Python 3.9
+target-version = "py39"
+
+[tool.ruff.lint]
+# Enable Pyflakes (`F`) and a subset of the pycodestyle (`E`) codes by default.
+# Unlike Flake8, Ruff doesn't enable pycodestyle warnings (`W`) or
+# McCabe complexity (`C901`) by default.
+select = ["E4", "E7", "E9", "F"]
+ignore = []
+
+# Allow fix for all enabled rules (when `--fix`) is provided.
+fixable = ["ALL"]
+unfixable = []
+
+# Allow unused variables when underscore-prefixed.
+dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"
