Added CI tests.

.github/workflows/api-tests.yml

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+name: API tests
+
+
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+    branches:
+      - main
+
+jobs:
+    api-tests:
+        runs-on: ubuntu-latest
+        environment: testing
+        env:
+            ANTHROPIC_API_KEY: ${{ secrets.ANTHROPIC_API_KEY }}
+            OPENAI_API_KEY: ${{ secrets.OPENAI_API_KEY }}
+            LANGFUSE_SECRET_KEY: ${{ secrets.LANGFUSE_SECRET_KEY }}
+            LANGFUSE_PUBLIC_KEY: ${{ secrets.LANGFUSE_PUBLIC_KEY }}
+            LANGFUSE_HOST: ${{ secrets.LANGFUSE_HOST }}
+            RXN_CLASSIFICATION_MODEL_PATH: ${{ secrets.RXN_CLASSIFICATION_MODEL_PATH }}
+            AZ_MODEL_CONFIG_PATH: ${{ secrets.AZ_MODEL_CONFIG_PATH }}
+            AZ_MODELS_PATH: ${{ secrets.AZ_MODELS_PATH }}
+            AZURE_AI_API_KEY: ${{ secrets.AZURE_AI_API_KEY }}
+            AZURE_AI_API_BASE: ${{ secrets.AZURE_AI_API_BASE }}
+            DEEPINFRA_API_KEY: ${{ secrets.DEEPINFRA_API_KEY }}
+            AWS_ACCESS_KEY_ID: ${{ secrets.AWS_ACCESS_KEY_ID }}
+            AWS_SECRET_ACCESS_KEY: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
+            TOGETHER_API_KEY: ${{ secrets.TOGETHER_API_KEY }}
+            FIREWORKS_AI_API_KEY: ${{ secrets.FIREWORKS_AI_API_KEY }}
+            ENABLE_LOGGING: False
+        defaults:
+            run:
+                working-directory: ./tests/
+        strategy:
+            matrix:
+                os: [ubuntu-latest]
+                python-version: [3.9]
+        steps:
+            - uses: actions/checkout@v4
+
+            - name: Set up Python 3.9
+              uses: actions/setup-python@v5
+              with:
+                python-version: ${{ matrix.python-version }}
+
+            - name: Install dependencies
+              run: |
+                python -m pip install --upgrade pip
+                pip install -r requirements_tests.txt
+
+            - name: Run all API tests
+              run: |
+                pytest ./api-tests/ -v --ignore=./api-tests/test_api_deepseek.py -v

.github/workflows/deepseek-tests.yml

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+name: Deepseek API tests
+
+
+on:
+  push:
+    branches:
+      - main
+  workflow_dispatch:
+
+jobs:
+    deepseek-api-tests:
+        runs-on: ubuntu-latest
+        environment: testing
+        env:
+            ANTHROPIC_API_KEY: ${{ secrets.ANTHROPIC_API_KEY }}
+            OPENAI_API_KEY: ${{ secrets.OPENAI_API_KEY }}
+            LANGFUSE_SECRET_KEY: ${{ secrets.LANGFUSE_SECRET_KEY }}
+            LANGFUSE_PUBLIC_KEY: ${{ secrets.LANGFUSE_PUBLIC_KEY }}
+            LANGFUSE_HOST: ${{ secrets.LANGFUSE_HOST }}
+            RXN_CLASSIFICATION_MODEL_PATH: ${{ secrets.RXN_CLASSIFICATION_MODEL_PATH }}
+            AZ_MODEL_CONFIG_PATH: ${{ secrets.AZ_MODEL_CONFIG_PATH }}
+            AZ_MODELS_PATH: ${{ secrets.AZ_MODELS_PATH }}
+            AZURE_AI_API_KEY: ${{ secrets.AZURE_AI_API_KEY }}
+            AZURE_AI_API_BASE: ${{ secrets.AZURE_AI_API_BASE }}
+            DEEPINFRA_API_KEY: ${{ secrets.DEEPINFRA_API_KEY }}
+            AWS_ACCESS_KEY_ID: ${{ secrets.AWS_ACCESS_KEY_ID }}
+            AWS_SECRET_ACCESS_KEY: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
+            TOGETHER_API_KEY: ${{ secrets.TOGETHER_API_KEY }}
+            FIREWORKS_AI_API_KEY: ${{ secrets.FIREWORKS_AI_API_KEY }}
+            ENABLE_LOGGING: False
+        defaults:
+            run:
+                working-directory: ./tests/
+        strategy:
+            matrix:
+                os: [ubuntu-latest]
+                python-version: [3.9]
+        steps:
+            - uses: actions/checkout@v4
+
+            - name: Set up Python 3.9
+              uses: actions/setup-python@v5
+              with:
+                python-version: ${{ matrix.python-version }}
+
+            - name: Install dependencies
+              run: |
+                python -m pip install --upgrade pip
+                pip install -r requirements_tests.txt
+
+            - name: Run deepseek tests
+              if: github.event_name != 'workflow_dispatch'
+              run: |
+                pytest ./api-tests/test_api_deepseek.py -v 

.github/workflows/llm-tests.yml

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+name: LLM tests
+
+
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+    branches:
+      - main
+
+jobs:
+    llm-tests:
+        runs-on: ubuntu-latest
+        environment: testing
+        env:
+            ANTHROPIC_API_KEY: ${{ secrets.ANTHROPIC_API_KEY }}
+            OPENAI_API_KEY: ${{ secrets.OPENAI_API_KEY }}
+            LANGFUSE_SECRET_KEY: ${{ secrets.LANGFUSE_SECRET_KEY }}
+            LANGFUSE_PUBLIC_KEY: ${{ secrets.LANGFUSE_PUBLIC_KEY }}
+            LANGFUSE_HOST: ${{ secrets.LANGFUSE_HOST }}
+            RXN_CLASSIFICATION_MODEL_PATH: ${{ secrets.RXN_CLASSIFICATION_MODEL_PATH }}
+            AZ_MODEL_CONFIG_PATH: ${{ secrets.AZ_MODEL_CONFIG_PATH }}
+            AZ_MODELS_PATH: ${{ secrets.AZ_MODELS_PATH }}
+            AZURE_AI_API_KEY: ${{ secrets.AZURE_AI_API_KEY }}
+            AZURE_AI_API_BASE: ${{ secrets.AZURE_AI_API_BASE }}
+            DEEPINFRA_API_KEY: ${{ secrets.DEEPINFRA_API_KEY }}
+            AWS_ACCESS_KEY_ID: ${{ secrets.AWS_ACCESS_KEY_ID }}
+            AWS_SECRET_ACCESS_KEY: ${{ secrets.AWS_SECRET_ACCESS_KEY }}
+            TOGETHER_API_KEY: ${{ secrets.TOGETHER_API_KEY }}
+            FIREWORKS_AI_API_KEY: ${{ secrets.FIREWORKS_AI_API_KEY }}
+            ENABLE_LOGGING: False
+        defaults:
+            run:
+                working-directory: ./tests/
+        strategy:
+            matrix:
+                os: [ubuntu-latest]
+                python-version: [3.9]
+        steps:
+            - uses: actions/checkout@v4
+
+            - name: Set up Python 3.9
+              uses: actions/setup-python@v5
+              with:
+                python-version: ${{ matrix.python-version }}
+
+            - name: Install dependencies
+              run: |
+                python -m pip install --upgrade pip
+                pip install -r requirements_tests.txt
+
+            - name: Run LLM tests
+              run: |
+                pytest ./llm-tests/ -v

tests/api-tests/test_api_call_fail.py

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+import requests
+import json
+import pytest
+
+import rootutils
+root_dir = rootutils.setup_root(".",
+                                indicator=".project-root",
+                                pythonpath=True)
+
+from tests.variables_test import BASE_URL, ENDPOINTS, X_API_KEY, \
+    DEEPSEEK_FIREWORKS_MODEL, USPTO_MODEL, CLAUDE_MODEL, PISTACHIO_MODEL
+
+
+def test_retrosynthesis_fail():
+    """Tests retrosynthesis endpoint with empty input("")
+
+    Asserts
+    -------
+    status_code : int
+            400 for a failed request.
+    error message : dict
+            The response should be a dictionary with keys ['error'].
+    """
+    url = f"{BASE_URL}{ENDPOINTS['retrosynthesis']}"
+
+    payload = json.dumps({
+        "advanced_prompt": "True",
+        "stability_flag": "False",
+        "hallucination_check": "False",
+        "llm": CLAUDE_MODEL,
+        "model_version": PISTACHIO_MODEL})
+
+    headers = {
+        'x-api-key': X_API_KEY,
+        'Content-Type': 'application/json'
+    }
+
+    response = requests.request("POST", url, headers=headers, data=payload)
+
+    assert response.status_code == 400
+    assert response.json() == {
+        "error": "SMILES string is required. Please include a 'smiles' field"}
+
+
+def test_rerun_retro_fail():
+    """Tests rerun_retrosynthesis endpoint with empty input("")
+
+    Asserts
+    -------
+        status_code: 400
+        error message: status code and error message
+    """
+    url = f"{BASE_URL}{ENDPOINTS['rerun_retro']}"
+
+    payload = json.dumps({
+        "advanced_prompt": "True",
+        "stability_flag": "False",
+        "hallucination_check": "False",
+        "llm": DEEPSEEK_FIREWORKS_MODEL,
+        "model_version": USPTO_MODEL})
+
+    headers = {
+        'x-api-key': X_API_KEY,
+        'Content-Type': 'application/json'
+    }
+
+    response = requests.request("POST", url, headers=headers, data=payload)
+
+    assert response.status_code == 400
+    assert response.json() == {
+        "error":
+        "Molecule string is required, Please include a 'smiles' field"}
+
+
+if __name__ == '__main__':
+    pytest.main()