src add

src/complexes/atomic_complex.py

@@ -1,8 +1,8 @@
 import jax
 import numpy as np
 from typing import List, Tuple
-from complexes.building_blocks import Electron, Proton, Neutron
-from complexes.general_utils import GeneralComplexUtils
+from src.complexes.building_blocks import Electron, Proton, Neutron
+from src.complexes.general_utils import GeneralComplexUtils
 
 
 seed = np.random.randint(0, 10 * 3)

src/complexes/build_atom_lookup.py

@@ -3,7 +3,7 @@
 import dill
 import numpy as np
 from collections import defaultdict
-from complexes.atomic_complex import AtomComplex
+from src.complexes.atomic_complex import AtomComplex
 
 
 class BuildAtoms:

src/complexes/general_utils.py

@@ -5,7 +5,7 @@
 from typing import List, Tuple
 from collections import defaultdict
 from microstructpy.geometry.n_sphere import NSphere
-from complexes.core_utils import GluingMap
+from src.complexes.core_utils import GluingMap
 
 
 class GeneralComplexUtils:

src/complexes/polyatomic_complex.py

@@ -4,8 +4,8 @@
 import numpy as np
 import jax.numpy as jnp
 from typing import List, Tuple
-from complexes.core_utils import GluingMap, ElectronField
-from complexes.building_blocks import Electron
+from src.complexes.core_utils import GluingMap, ElectronField
+from src.complexes.building_blocks import Electron
 
 
 class PolyAtomComplex:

src/complexes/process_esol.py

@@ -4,7 +4,7 @@
 import pandas as pd
 from rdkit import Chem
 from collections import defaultdict
-from complexes.polyatomic_complex import PolyAtomComplex
+from src.complexes.polyatomic_complex import PolyAtomComplex
 
 
 class ProcessESOL:

src/complexes/process_freesolv.py

@@ -4,7 +4,7 @@
 import pandas as pd
 from rdkit import Chem
 from collections import defaultdict
-from complexes.polyatomic_complex import PolyAtomComplex
+from src.complexes.polyatomic_complex import PolyAtomComplex
 
 
 class ProcessFreeSolv:

src/complexes/process_lipophilicity.py

@@ -4,7 +4,7 @@
 import pandas as pd
 from rdkit import Chem
 from collections import defaultdict
-from complexes.polyatomic_complex import PolyAtomComplex
+from src.complexes.polyatomic_complex import PolyAtomComplex
 
 
 class ProcessLipophilicity:

src/complexes/process_materials_project.py

@@ -5,7 +5,7 @@
 from typing import List
 from multiprocessing.pool import ThreadPool as Pool
 from collections import defaultdict
-from complexes.polyatomic_complex import PolyAtomComplex
+from src.complexes.polyatomic_complex import PolyAtomComplex
 
 
 class ProcessMP:

src/complexes/process_photoswitches.py

@@ -4,7 +4,7 @@
 import pandas as pd
 from rdkit import Chem
 from collections import defaultdict
-from complexes.polyatomic_complex import PolyAtomComplex
+from src.complexes.polyatomic_complex import PolyAtomComplex
 
 
 class ProcessPhotoswitches: