resolve conversations

deepmd/pt/model/descriptor/dpa1.py

@@ -1,5 +1,4 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
-import logging
 from typing import (
     List,
     Optional,
@@ -18,8 +17,6 @@
     DescrptBlockSeAtten,
 )
 
-log = logging.getLogger(__name__)
-
 
 @Descriptor.register("dpa1")
 @Descriptor.register("se_atten")
@@ -128,7 +125,7 @@ def compute_input_stats(self, merged):
     def init_desc_stat(
         self, sumr=None, suma=None, sumn=None, sumr2=None, suma2=None, **kwargs
     ):
-        assert True not in [x is None for x in [sumr, suma, sumn, sumr2, suma2]]
+        assert all(x is not None for x in [sumr, suma, sumn, sumr2, suma2])
         self.se_atten.init_desc_stat(sumr, suma, sumn, sumr2, suma2)
 
     @classmethod
@@ -141,6 +138,7 @@ def get_stat_name(
         """
         descrpt_type = type_name
         assert descrpt_type in ["dpa1", "se_atten"]
+        assert all(x is not None for x in [rcut, rcut_smth, sel])
         return f"stat_file_descrpt_dpa1_rcut{rcut:.2f}_smth{rcut_smth:.2f}_sel{sel}_ntypes{ntypes}.npz"
 
     @classmethod

deepmd/pt/model/descriptor/dpa2.py

@@ -1,5 +1,4 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
-import logging
 from typing import (
     List,
     Optional,
@@ -27,8 +26,6 @@
     DescrptBlockSeAtten,
 )
 
-log = logging.getLogger(__name__)
-
 
 @Descriptor.register("dpa2")
 class DescrptDPA2(Descriptor):
@@ -316,7 +313,7 @@ def compute_input_stats(self, merged):
     def init_desc_stat(
         self, sumr=None, suma=None, sumn=None, sumr2=None, suma2=None, **kwargs
     ):
-        assert True not in [x is None for x in [sumr, suma, sumn, sumr2, suma2]]
+        assert all(x is not None for x in [sumr, suma, sumn, sumr2, suma2])
         for ii, descrpt in enumerate([self.repinit, self.repformers]):
             stat_dict_ii = {
                 "sumr": sumr[ii],
@@ -346,8 +343,8 @@ def get_stat_name(
         """
         descrpt_type = type_name
         assert descrpt_type in ["dpa2"]
-        assert True not in [
-            x is None
+        assert all(
+            x is not None
             for x in [
                 repinit_rcut,
                 repinit_rcut_smth,
@@ -356,7 +353,7 @@ def get_stat_name(
                 repformer_rcut_smth,
                 repformer_nsel,
             ]
-        ]
+        )
         return (
             f"stat_file_descrpt_dpa2_repinit_rcut{repinit_rcut:.2f}_smth{repinit_rcut_smth:.2f}_sel{repinit_nsel}"
             f"_repformer_rcut{repformer_rcut:.2f}_smth{repformer_rcut_smth:.2f}_sel{repformer_nsel}_ntypes{ntypes}.npz"

deepmd/pt/model/descriptor/hybrid.py

@@ -107,9 +107,9 @@ def distinguish_types(self) -> bool:
         """Returns if the descriptor requires a neighbor list that distinguish different
         atomic types or not.
         """
-        return True in [
+        return any(
             descriptor.distinguish_types() for descriptor in self.descriptor_list
-        ]
+        )
 
     @property
     def dim_out(self):
@@ -178,7 +178,7 @@ def compute_input_stats(self, merged):
     def init_desc_stat(
         self, sumr=None, suma=None, sumn=None, sumr2=None, suma2=None, **kwargs
     ):
-        assert True not in [x is None for x in [sumr, suma, sumn, sumr2, suma2]]
+        assert all(x is not None for x in [sumr, suma, sumn, sumr2, suma2])
         for ii, descrpt in enumerate(self.descriptor_list):
             stat_dict_ii = {
                 "sumr": sumr[ii],

deepmd/pt/model/descriptor/se_a.py

@@ -1,5 +1,4 @@
 # SPDX-License-Identifier: LGPL-3.0-or-later
-import logging
 from typing import (
     ClassVar,
     List,
@@ -41,10 +40,6 @@
     process_input,
 )
 
-log = logging.getLogger(__name__)
-
-log = logging.getLogger(__name__)
-
 
 @Descriptor.register("se_e2_a")
 class DescrptSeA(Descriptor):
@@ -119,7 +114,7 @@ def compute_input_stats(self, merged):
     def init_desc_stat(
         self, sumr=None, suma=None, sumn=None, sumr2=None, suma2=None, **kwargs
     ):
-        assert True not in [x is None for x in [sumr, suma, sumn, sumr2, suma2]]
+        assert all(x is not None for x in [sumr, suma, sumn, sumr2, suma2])
         self.sea.init_desc_stat(sumr, suma, sumn, sumr2, suma2)
 
     @classmethod
@@ -132,7 +127,7 @@ def get_stat_name(
         """
         descrpt_type = type_name
         assert descrpt_type in ["se_e2_a"]
-        assert True not in [x is None for x in [rcut, rcut_smth, sel]]
+        assert all(x is not None for x in [rcut, rcut_smth, sel])
         return f"stat_file_descrpt_sea_rcut{rcut:.2f}_smth{rcut_smth:.2f}_sel{sel}_ntypes{ntypes}.npz"
 
     @classmethod

deepmd/pt/model/task/ener.py

@@ -223,7 +223,7 @@ def compute_output_stats(self, merged):
         return {"bias_atom_e": bias_atom_e}
 
     def init_fitting_stat(self, bias_atom_e=None, **kwargs):
-        assert True not in [x is None for x in [bias_atom_e]]
+        assert all(x is not None for x in [bias_atom_e])
         self.bias_atom_e.copy_(
             torch.tensor(bias_atom_e, device=env.DEVICE).view(
                 [self.ntypes, self.dim_out]

deepmd/pt/utils/stat.py

@@ -105,4 +105,4 @@ def process_stat_path(
     has_stat_file_path_list = [
         os.path.exists(stat_file_path[key]) for key in stat_file_dict
     ]
-    return stat_file_path, False not in has_stat_file_path_list
+    return stat_file_path, all(has_stat_file_path_list)