boltz-vsynthes 1.0.36__py3-none-any.whl → 1.0.38__py3-none-any.whl

boltz/data/parse/schema.py

@@ -1900,6 +1900,10 @@ def parse_boltz_directory(
 
     targets = []
     for yaml_file in input_dir.glob("*.yaml"):
+        # Skip hidden files and directories
+        if yaml_file.name.startswith('.') or any(part.startswith('.') for part in yaml_file.parts):
+            continue
+            
         try:
             # Load YAML file
             with open(yaml_file, "r") as f:

boltz/main.py

@@ -272,7 +272,7 @@ def get_cache_path() -> str:
 
 
 def check_inputs(data: Path) -> list[Path]:
-    """Check the input data and output directory.
+    """Check the input data.
 
     Parameters
     ----------
@@ -282,18 +282,21 @@ def check_inputs(data: Path) -> list[Path]:
     Returns
     -------
     list[Path]
-        The list of input data.
+        The list of input files.
 
     """
-    click.echo("Checking input data.")
-
     # Check if data is a directory
     if data.is_dir():
         data: list[Path] = list(data.glob("*"))
 
         # Filter out non .fasta or .yaml files, raise
         # an error on directory and other file types
+        filtered_data = []
         for d in data:
+            # Skip hidden files and directories
+            if d.name.startswith('.') or any(part.startswith('.') for part in d.parts):
+                continue
+                
             if d.is_dir():
                 msg = f"Found directory {d} instead of .fasta or .yaml."
                 raise RuntimeError(msg)
@@ -303,6 +306,8 @@ def check_inputs(data: Path) -> list[Path]:
                     "please provide a .fasta or .yaml file."
                 )
                 raise RuntimeError(msg)
+            filtered_data.append(d)
+        data = filtered_data
     else:
         data = [data]
 

{boltz_vsynthes-1.0.36.dist-info → boltz_vsynthes-1.0.38.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: boltz-vsynthes
-Version: 1.0.36
+Version: 1.0.38
 Summary: Boltz for VSYNTHES
 Requires-Python: <3.13,>=3.10
 Description-Content-Type: text/markdown

{boltz_vsynthes-1.0.36.dist-info → boltz_vsynthes-1.0.38.dist-info}/RECORD

@@ -1,5 +1,5 @@
 boltz/__init__.py,sha256=F_-so3S40iZrSZ89Ge4TS6aZqwWyZXq_H4AXGDlbA_g,187
-boltz/main.py,sha256=AMYdcqTLOL5Mbo8P2ix1KeNwTijH5fWNzKUnLHBNtn0,39735
+boltz/main.py,sha256=i5_15JZ9vjZ9RSLZb2F0a7scuQ0QfFkgUQVftTiD3h0,39945
 boltz/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 boltz/data/const.py,sha256=1M-88Z6HkfKY6MkNtqcj3b9P-oX9xEXluh3qM_u8dNU,26779
 boltz/data/mol.py,sha256=maOpPHEGX1VVXCIFY6pQNGF7gUBZPAfgSvuPf2QO1yc,34268
@@ -40,7 +40,7 @@ boltz/data/parse/mmcif.py,sha256=25kEXCkx-OuaawAs7cdz0fxdRu5_CCO0AV00u84PrjQ,368
 boltz/data/parse/mmcif_with_constraints.py,sha256=WHYZckSqUwu-Nb9vmVmxHmC7uxwVrF7AVUeVKsc5wGQ,51473
 boltz/data/parse/pdb.py,sha256=iybk4p2UgUy_ABGprDq_xxyPSdm1HAZsGTM0lhxVEwM,1654
 boltz/data/parse/pdb_download.py,sha256=wge-scX-lOatX0q83W1wOsaql99rYp-6uGWSHEc995M,2718
-boltz/data/parse/schema.py,sha256=6MmG1adbbwi_y1J9jgIjx_Tsh0sHpQ-9zwwlKxdBwNk,64603
+boltz/data/parse/schema.py,sha256=b0Mh1eCg6gTyOQt7GkEFAQdYCZJ1jqAJbUy9Tv53K4E,64781
 boltz/data/parse/sdf.py,sha256=fs3MQVClDcCzxJaeVYiDuoh-fUrYc8Tcd5Bz8ws3FKI,2052
 boltz/data/parse/yaml.py,sha256=M3dRQK2mMDue3bPSO_T2ThaVojSMrOV7rMY-KXQvaGQ,2047
 boltz/data/sample/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
@@ -107,9 +107,9 @@ boltz/model/optim/scheduler.py,sha256=nB4jz0CZ4pR4n08LQngExL_pNycIdYI8AXVoHPnZWQ
 boltz/model/potentials/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 boltz/model/potentials/potentials.py,sha256=vev8Vjfs-ML1hyrdv_R8DynG4wSFahJ6nzPWp7CYQqw,17507
 boltz/model/potentials/schedules.py,sha256=m7XJjfuF9uTX3bR9VisXv1rvzJjxiD8PobXRpcBBu1c,968
-boltz_vsynthes-1.0.36.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
-boltz_vsynthes-1.0.36.dist-info/METADATA,sha256=GuLxeSu8jH6mmmism0QOM1o6JYEA6LjIK4lcFuLaIms,7171
-boltz_vsynthes-1.0.36.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-boltz_vsynthes-1.0.36.dist-info/entry_points.txt,sha256=n5a5I35ntu9lmyr16oZgHPFY0b0YxjiixY7m7nbMTLc,41
-boltz_vsynthes-1.0.36.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
-boltz_vsynthes-1.0.36.dist-info/RECORD,,
+boltz_vsynthes-1.0.38.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
+boltz_vsynthes-1.0.38.dist-info/METADATA,sha256=HtZ8GekM9xBSPv24CUhVnarUX_GnVP-_tvIM8HfLCZc,7171
+boltz_vsynthes-1.0.38.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+boltz_vsynthes-1.0.38.dist-info/entry_points.txt,sha256=n5a5I35ntu9lmyr16oZgHPFY0b0YxjiixY7m7nbMTLc,41
+boltz_vsynthes-1.0.38.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
+boltz_vsynthes-1.0.38.dist-info/RECORD,,