o Print outputs and add a simple assert

Author: rajeeja

.github/workflows/docker_gdrp_parsl.yml

@@ -9,14 +9,14 @@ jobs:
       - uses: actions/checkout@v4
       - name: Install missing libraries
         run: |
-          apt-get update && apt-get install -y libxrender1 libxext6
+          apt-get update && apt-get install -y libxrender1 libxext6 tree #added tree here
       - name: Install and check
         run: |
           which python
           python --version
           which conda
           conda env list
-          eval "$(conda shell.bash hook)"  # Ensure Conda is properly initialized
+          eval "$(conda shell.bash hook)"
           conda activate graphdrp
           pip install -e .
           export PYTHONPATH=$PYTHONPATH:.
@@ -28,14 +28,33 @@ jobs:
           conda list -n graphdrp
           python -c "import sys; print(sys.path)"
           cd $BASE_DIR/workflows/csa/parsl/
-          pip install cryptography==37.0.1 
+          pip install cryptography==37.0.1
           pip install pyopenssl==22.0.0
           pip install cffi==1.14.5
           pip install parsl numpy pandas scikit-learn pyyaml
           mv /app/GraphDRP/csa_data .
           echo "Preprocess started"
           ls -ltrh
-          python workflow_preprocess.py --config_file ./parsl_csa_githubactions.ini 
+          python workflow_preprocess.py --config_file ./parsl_csa_githubactions.ini
           echo "Preprocess done"
-          python workflow_csa.py --config_file ./parsl_csa_githubactions.ini 
-          echo "Parsl CSA done"
+          python workflow_csa.py --config_file ./parsl_csa_githubactions.ini
+          echo "Parsl CSA done"
+          echo "Tree of ./parsl_csa_exp3:"
+          tree ./parsl_csa_exp3
+          echo "Content of ./parsl_csa_exp3/infer/CCLE-CCLE/split_0/test_scores.json:"
+          cat ./parsl_csa_exp3/infer/CCLE-CCLE/split_0/test_scores.json
+          echo "Content of ./parsl_csa_exp3/infer/CCLE-CCLE/split_1/test_scores.json:"
+          cat ./parsl_csa_exp3/infer/CCLE-CCLE/split_1/test_scores.json
+          rmse_line=$(grep '"rmse":' ./parsl_csa_exp3/infer/CCLE-CCLE/split_1/test_scores.json)
+          rmse_value=$(echo "$rmse_line" | awk -F ': ' '{print $2}' | tr -d ',')
+          echo "RMSE for split_1: $rmse_value"
+          if [[ $(echo "$rmse_value < 0.3" | bc -l) -eq 1 ]]; then
+              echo "Assertion passed: RMSE ($rmse_value) < 0.3"
+          else
+              echo "Assertion failed: RMSE ($rmse_value) >= 0.3"
+              exit 1 # Fail the workflow
+          fi
+          echo "Content of ./parsl_csa_exp3/infer/CCLE-gCSI/split_0/test_scores.json:"
+          cat ./parsl_csa_exp3/infer/CCLE-gCSI/split_0/test_scores.json
+          echo "Content of ./parsl_csa_exp3/infer/gCSI-CCLE/split_0/test_scores.json:"
+          cat ./parsl_csa_exp3/infer/gCSI-CCLE/split_0/test_scores.json