Mercurial > repos > galaxy-australia > alphafold2

changeset 22:3f188450ca4f draft default tip

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planemo upload for repository https://github.com/usegalaxy-au/tools-au commit d626bb28203543a70d3fc60d662cb054bc3cef7c
author galaxy-australia
date Wed, 30 Oct 2024 21:46:34 +0000
parents e7f1b552a695
children
files alphafold.xml scripts/outputs.py
diffstat 2 files changed, 8 insertions(+), 7 deletions(-) [+]
line wrap: on
line diff
--- a/alphafold.xml	Tue Oct 29 02:15:36 2024 +0000
+++ b/alphafold.xml	Wed Oct 30 21:46:34 2024 +0000
@@ -3,7 +3,7 @@
     <macros>
       <token name="@TOOL_VERSION@">2.3.2</token>
       <token name="@TOOL_MINOR_VERSION@">2.3</token>
-      <token name="@VERSION_SUFFIX@">1</token>
+      <token name="@VERSION_SUFFIX@">2</token>
       <import>macro_output.xml</import>
       <import>macro_test_output.xml</import>
     </macros>
--- a/scripts/outputs.py	Tue Oct 29 02:15:36 2024 +0000
+++ b/scripts/outputs.py	Wed Oct 30 21:46:34 2024 +0000
@@ -113,12 +113,13 @@
 
     def _sniff_model_preset(self) -> bool:
         """Check if the run was multimer or monomer."""
-        with open(self.workdir / 'relax_metrics.json') as f:
-            if '_multimer_' in f.read():
-                return PRESETS.multimer
-            if '_ptm_' in f.read():
-                return PRESETS.monomer_ptm
-        return PRESETS.monomer
+        for path in self.workdir.glob('*.pkl'):
+            if 'feature' not in path.name:
+                if '_multimer_' in path.name:
+                    return PRESETS.multimer
+                if '_ptm_' in path.name:
+                    return PRESETS.monomer_ptm
+                return PRESETS.monomer
 
 
 class ExecutionContext: