import sys
sys.path.append('../../')
from model.trainer import Trainer

if __name__ == "__main__":
    trainer = Trainer(None)

    target_parameters = {"units_conv": 32, "units_dense": 32, "pooling": "max", "num_layers": 0, "name": "target"}
    molecule_parameters = {"units_conv": 32, "units_dense": 32, "pooling": "max", "num_layers": 0, "name": "molecule"}

    hyperparameters = {"epoch": 10, "batch": 32, "fold": 1,  "loss": "binary_crossentropy", "monitor":
                       "val_roc", "label": "", "target_parameters": target_parameters, "molecule_parameters": molecule_parameters}

    features = {"use_atom_symbol": True, "use_degree": True, "use_hybridization": True, "use_implicit_valence": True,
                "use_partial_charge": True, "use_ring_size": True, "use_hydrogen_bonding": True,
                "use_acid_base": True, "use_aromaticity": True, "use_chirality": True, "use_num_hydrogen": True}

    # Baseline
    trainer.fit('model_2DGCN', **hyperparameters, **features)
