refactor general docs string for all models.

kgcnn/literature/AttentiveFP/_make.py

@@ -1,7 +1,8 @@
 import keras as ks
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.models.utils import update_model_kwargs
-from kgcnn.models.casting import template_cast_output, template_cast_list_input, template_cast_list_input_docs
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 from kgcnn.layers.modules import Input
 from ._model import model_disjoint
@@ -162,4 +163,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/CGCNN/_make.py

@@ -3,7 +3,8 @@
 from kgcnn.models.utils import update_model_kwargs
 from keras.backend import backend as backend_to_use
 from kgcnn.layers.scale import get as get_scaler
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from ._model import model_disjoint_crystal
 
 # To be updated if model is changed in a significant way.
@@ -194,5 +195,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_crystal_model.__doc__ = make_crystal_model.__doc__ % (
-    template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_crystal_model.__doc__ = make_crystal_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/CMPNN/_make.py

@@ -2,7 +2,8 @@
 from typing import Union
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.models.utils import update_model_kwargs
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 from kgcnn.layers.modules import Input
 from ._model import model_disjoint
@@ -187,4 +188,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/DGIN/_make.py

@@ -1,7 +1,8 @@
 import keras as ks
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.models.utils import update_model_kwargs
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 from kgcnn.layers.modules import Input
 from ._model import model_disjoint
@@ -211,4 +212,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/DMPNN/_make.py

@@ -1,7 +1,8 @@
 import keras as ks
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.models.utils import update_model_kwargs
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 from kgcnn.layers.modules import Input
 from ._model import model_disjoint
@@ -180,4 +181,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/DimeNetPP/_make.py

@@ -2,7 +2,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from ._model import model_disjoint, model_disjoint_crystal
 from kgcnn.layers.modules import Input
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.models.utils import update_model_kwargs
 from keras.backend import backend as backend_to_use
 
@@ -203,7 +204,7 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)
 
 model_crystal_default = {
     "name": "DimeNetPP",
@@ -391,5 +392,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_crystal_model.__doc__ = make_crystal_model.__doc__ % (
-    template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_crystal_model.__doc__ = make_crystal_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/EGNN/_make.py

@@ -2,7 +2,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from ._model import model_disjoint
 from kgcnn.layers.modules import Input
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.models.utils import update_model_kwargs
 from keras.backend import backend as backend_to_use
 
@@ -213,4 +214,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/GAT/_make.py

@@ -3,7 +3,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.layers.modules import Input
 from keras.backend import backend as backend_to_use
-from kgcnn.models.casting import template_cast_list_input, template_cast_output
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.ops.activ import *
 
 # Keep track of model version from commit date in literature.
@@ -158,4 +159,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/GATv2/_make.py

@@ -2,7 +2,8 @@
 from kgcnn.models.utils import update_model_kwargs
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.layers.modules import Input
-from kgcnn.models.casting import template_cast_list_input, template_cast_output
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 from kgcnn.ops.activ import *
 
@@ -159,4 +160,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/GCN/_make.py

@@ -3,7 +3,8 @@
 from ._model import model_disjoint, model_disjoint_weighted
 from kgcnn.layers.modules import Input
 from kgcnn.models.utils import update_model_kwargs
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 
 
@@ -151,7 +152,7 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)
 
 
 model_default_weighted = {
@@ -280,5 +281,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model_weighted.__doc__ = make_model_weighted.__doc__ % (
-    template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model_weighted.__doc__ = make_model_weighted.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/GIN/_make.py

@@ -3,7 +3,8 @@
 from kgcnn.models.utils import update_model_kwargs
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.layers.modules import Input
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 from kgcnn.ops.activ import *
 
@@ -149,7 +150,7 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)
 
 model_default_edge = {
     "name": "GINE",
@@ -285,4 +286,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model_edge.__doc__ = make_model_edge.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model_edge.__doc__ = make_model_edge.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/GNNFilm/_make.py

@@ -3,7 +3,8 @@
 from ._model import model_disjoint
 from kgcnn.layers.modules import Input
 from kgcnn.models.utils import update_model_kwargs
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 
 
@@ -156,4 +157,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/GraphSAGE/_make.py

@@ -3,7 +3,8 @@
 from kgcnn.layers.modules import Input
 from kgcnn.models.utils import update_model_kwargs
 from kgcnn.layers.scale import get as get_scaler
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from keras.backend import backend as backend_to_use
 
 # Keep track of model version from commit date in literature.
@@ -163,4 +164,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/HDNNP2nd/_make.py

@@ -2,7 +2,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from ._model import model_disjoint_weighted, model_disjoint_behler, model_disjoint_atom_wise
 from kgcnn.layers.modules import Input
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.models.utils import update_model_kwargs
 from keras.backend import backend as backend_to_use
 
@@ -165,8 +166,7 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model_weighted.__doc__ = make_model_weighted.__doc__ % (
-    template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model_weighted.__doc__ = make_model_weighted.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)
 
 model_default_behler = {
     "name": "HDNNP2nd",
@@ -313,8 +313,7 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model_behler.__doc__ = make_model_behler.__doc__ % (
-    template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model_behler.__doc__ = make_model_behler.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)
 
 model_default_atom_wise = {
     "name": "HDNNP2nd",
@@ -442,8 +441,7 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model_atom_wise.__doc__ = make_model_atom_wise.__doc__ % (
-    template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model_atom_wise.__doc__ = make_model_atom_wise.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)
 
 # For default, the weighted ACSF are used, since they do should in principle work for all elements.
 make_model = make_model_weighted

kgcnn/literature/HamNet/_make.py

@@ -2,7 +2,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from ._model import model_disjoint
 from kgcnn.layers.modules import Input
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.models.utils import update_model_kwargs
 from keras.backend import backend as backend_to_use
 
@@ -179,4 +180,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/INorp/_make.py

@@ -3,7 +3,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.layers.modules import Input
 from keras.backend import backend as backend_to_use
-from kgcnn.models.casting import template_cast_list_input, template_cast_output
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.ops.activ import *
 
 # Keep track of model version from commit date in literature.
@@ -181,4 +182,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/MEGAN/_make.py

@@ -2,7 +2,8 @@
 from kgcnn.models.utils import update_model_kwargs
 from kgcnn.layers.modules import Input
 from keras.backend import backend as backend_to_use
-from kgcnn.models.casting import template_cast_list_input, template_cast_output
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.ops.activ import *
 
 # Keep track of model version from commit date in literature.
@@ -213,3 +214,6 @@ def make_model(inputs: list = None,
     model.__kgcnn_model_version__ = __model_version__
 
     return model
+
+
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/MXMNet/_make.py

@@ -2,7 +2,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from ._model import model_disjoint
 from kgcnn.layers.modules import Input
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.models.utils import update_model_kwargs
 from keras.backend import backend as backend_to_use
 
@@ -206,4 +207,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/Megnet/_make.py

@@ -2,7 +2,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from ._model import model_disjoint, model_disjoint_crystal
 from kgcnn.layers.modules import Input
-from kgcnn.models.casting import template_cast_output, template_cast_list_input
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.models.utils import update_model_kwargs
 from keras.backend import backend as backend_to_use
 
@@ -190,7 +191,7 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)
 
 model_crystal_default = {
     'name': "Megnet",
@@ -359,5 +360,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_crystal_model.__doc__ = make_crystal_model.__doc__ % (
-    template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_crystal_model.__doc__ = make_crystal_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)

kgcnn/literature/MoGAT/_make.py

@@ -3,7 +3,8 @@
 from kgcnn.layers.scale import get as get_scaler
 from kgcnn.layers.modules import Input
 from keras.backend import backend as backend_to_use
-from kgcnn.models.casting import template_cast_list_input, template_cast_output
+from kgcnn.models.casting import (template_cast_output, template_cast_list_input,
+                                  template_cast_list_input_docs, template_cast_output_docs)
 from kgcnn.ops.activ import *
 
 # Keep track of model version from commit date in literature.
@@ -165,4 +166,4 @@ def set_scale(*args, **kwargs):
     return model
 
 
-make_model.__doc__ = make_model.__doc__ % (template_cast_list_input.__doc__, template_cast_output.__doc__)
+make_model.__doc__ = make_model.__doc__ % (template_cast_list_input_docs, template_cast_output_docs)