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42 changes: 31 additions & 11 deletions .github/workflows/test-release.yml
Original file line number Diff line number Diff line change
Expand Up @@ -6,38 +6,58 @@ name: Error checking and testing
on:
# Triggers the workflow on push or pull request events but only for the main branch
push:
branches: [ master ]
branches: [ master, development ]
pull_request:
branches: [ master ]
branches: [ master, development ]


# A workflow run is made up of one or more jobs that can run sequentially or in parallel
jobs:

build:
test:
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
python-version: ['3.10']
python-version: ['3.10', '3.11', '3.12']

steps:
- uses: actions/checkout@v2
- uses: actions/checkout@v4

- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v1
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Install basic dependencies

- name: Install dependencies
run: |
python -m pip install --upgrade pip
- name: Test with tox
pip install tox

- name: Run tests with tox
run: tox -e py$(echo ${{ matrix.python-version }} | tr -d '.')

lint:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4

- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: '3.12'

- name: Install dependencies
run: |
pip install -e .
python -m pip install --upgrade pip
pip install tox
tox

- name: Run linting
run: tox -e lint

release-please:
runs-on: ubuntu-latest
needs: build
needs: [test, lint]
steps:
- uses: google-github-actions/release-please-action@v3
with:
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2 changes: 0 additions & 2 deletions DECIMER/Efficient_Net_encoder.py
Original file line number Diff line number Diff line change
@@ -1,8 +1,6 @@
# EfficientNet-V2 config
import tensorflow as tf

import DECIMER.efficientnetv2
from DECIMER.efficientnetv2 import effnetv2_configs
from DECIMER.efficientnetv2 import effnetv2_model

BATCH_SIZE_DEBUG = 2
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30 changes: 16 additions & 14 deletions DECIMER/__init__.py
Original file line number Diff line number Diff line change
@@ -1,25 +1,27 @@
# -*- coding: utf-8 -*-
"""DECIMER V2.6.0 Python Package. ============================

This repository contains DECIMER-V2,Deep lEarning for Chemical ImagE Recognition) project
was launched to address the OCSR problem with the latest computational intelligence methods
to provide an automated open-source software solution.
"""
DECIMER V2.7.2 Python Package
=============================

Deep lEarning for Chemical ImagE Recognition (DECIMER) project
was launched to address the Optical Chemical Structure Recognition (OCSR)
problem using deep learning based methods,
providing an automated open-source software solution.

Typical usage example:
Typical usage example::

from decimer import predict_SMILES
from decimer import predict_SMILES

# Chemical depiction to SMILES translation
image_path = "path/to/imagefile"
SMILES = predict_SMILES(image_path)
print(SMILES)
# Chemical depiction to SMILES translation
image_path = "path/to/imagefile"
SMILES = predict_SMILES(image_path)
print(SMILES)

For comments, bug reports or feature ideas,
please raise a issue on the Github repository.
For comments, bug reports, or feature ideas,
please raise an issue on the GitHub repository.
"""

__version__ = "2.7.1"
__version__ = "2.7.2"

__all__ = [
"DECIMER",
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