Fix naming

davidkastner · Aug 15, 2023 · a39dd82 · a39dd82
1 parent 5358897
commit a39dd82
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/qp/cli.py b/qp/cli.py
@@ -76,7 +76,7 @@ def cli(
         click.echo("")
 
     if protoss:
-        from qp.structure import protoss
+        from qp.structure import add_hydrogens
 
     err = {
         "PDB": [],
@@ -116,24 +116,24 @@ def cli(
                 if modeller:
                     path = mod_path
                 try:
-                    pid = protoss.upload(path)
+                    pid = add_hydrogens.upload(path)
                 except ValueError:
                     click.secho("Error uploading PDB file\n", italic=True, fg="red")
                     # Occurs when uploading a PDB file > 4MB
                     # TODO retry with parsed PDB code? Will raise Bio.PDB error if  
                     #      number of atoms in output exceeds 99999
                     err["Protoss"].append(pdb)
                     continue
-                job = protoss.submit(pid)
-                protoss.download(job, prot_path)
+                job = add_hydrogens.submit(pid)
+                add_hydrogens.download(job, prot_path)
 
         if coordination:
             click.echo("> Extracting clusters")
             if modeller:
                 path = mod_path
             if protoss:
                 path = prot_path
-                protoss.adjust_active_sites(path, metals)
+                add_hydrogens.adjust_active_sites(path, metals)
             try:
                 coordination_spheres.extract_clusters(path, f"{o}/{pdb}", metals, limit, ligands, capping)
             except KeyError:

diff --git a/qp/structure/protoss.py → qp/structure/add_hydrogens.py b/qp/structure/protoss.py → qp/structure/add_hydrogens.py