boltz-vsynthes 1.0.8__py3-none-any.whl → 1.0.9__py3-none-any.whl

boltz/data/parse/schema.py

@@ -936,13 +936,21 @@ def token_spec_to_ids(
         contacts.append((chain_to_idx[chain_name], residue_index_or_atom_name - 1))
 
 
-def parse_boltz_schema(schema: dict) -> dict:
+def parse_boltz_schema(name: str, schema: dict, ccd: dict, mol_dir: Path, boltz2: bool = False) -> dict:
     """Parse the Boltz input schema.
 
     Parameters
     ----------
+    name : str
+        The name of the input file.
     schema : dict
         The input schema.
+    ccd : dict
+        Dictionary of CCD components.
+    mol_dir : Path
+        Path to the directory containing the molecules.
+    boltz2 : bool, optional
+        Whether to parse the input for Boltz2, by default False.
 
     Returns
     -------

{boltz_vsynthes-1.0.8.dist-info → boltz_vsynthes-1.0.9.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: boltz-vsynthes
-Version: 1.0.8
+Version: 1.0.9
 Summary: Boltz for V-Synthes
 Requires-Python: <3.13,>=3.10
 Description-Content-Type: text/markdown

{boltz_vsynthes-1.0.8.dist-info → boltz_vsynthes-1.0.9.dist-info}/RECORD

@@ -38,7 +38,7 @@ boltz/data/parse/csv.py,sha256=Hcq8rJW2njczahEr8jfd_o-zxLaNSgJ3YIoC9srIqpw,2518
 boltz/data/parse/fasta.py,sha256=taI4s_CqPtyF0XaLJAsVAJHCL0GXm2g1g8Qeccdxikk,3906
 boltz/data/parse/mmcif.py,sha256=25kEXCkx-OuaawAs7cdz0fxdRu5_CCO0AV00u84PrjQ,36822
 boltz/data/parse/mmcif_with_constraints.py,sha256=WHYZckSqUwu-Nb9vmVmxHmC7uxwVrF7AVUeVKsc5wGQ,51473
-boltz/data/parse/schema.py,sha256=3SKeHB5ao-I9Sznytwqxb7-n-dIXtTdKY3VrRp8lIZs,36766
+boltz/data/parse/schema.py,sha256=5VANtvxFZ0FTelESWHA58QJ810XVfSdXHSB8YtJVCuw,37097
 boltz/data/parse/yaml.py,sha256=GRFRMtDD4PQ4PIpA_S1jj0vRaEu2LlZd_g4rN1zUrNo,1505
 boltz/data/sample/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 boltz/data/sample/cluster.py,sha256=9Sx8qP7zGZOAyEspwYFtCTbGTBZnuN-zfCKFbbA_6oI,8175
@@ -104,9 +104,9 @@ 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-1.0.8.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
-boltz_vsynthes-1.0.8.dist-info/METADATA,sha256=GBCIrSt4OpP4gbp7hYXESfvaeU7JzADqpefMfza3ScI,7171
-boltz_vsynthes-1.0.8.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-boltz_vsynthes-1.0.8.dist-info/entry_points.txt,sha256=n5a5I35ntu9lmyr16oZgHPFY0b0YxjiixY7m7nbMTLc,41
-boltz_vsynthes-1.0.8.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
-boltz_vsynthes-1.0.8.dist-info/RECORD,,
+boltz_vsynthes-1.0.9.dist-info/licenses/LICENSE,sha256=8GZ_1eZsUeG6jdqgJJxtciWzADfgLEV4LY8sKUOsJhc,1102
+boltz_vsynthes-1.0.9.dist-info/METADATA,sha256=_HnBtfMTbZT71l94bMVcMEEKq0InYcmMnuVFO0NQSHc,7171
+boltz_vsynthes-1.0.9.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+boltz_vsynthes-1.0.9.dist-info/entry_points.txt,sha256=n5a5I35ntu9lmyr16oZgHPFY0b0YxjiixY7m7nbMTLc,41
+boltz_vsynthes-1.0.9.dist-info/top_level.txt,sha256=MgU3Jfb-ctWm07YGMts68PMjSh9v26D0gfG3dFRmVFA,6
+boltz_vsynthes-1.0.9.dist-info/RECORD,,