| Previous changeset 4:40071ff77285 (2023-07-18) |
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Commit message:
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 389608650050596b28bc0c055de9f98c513a6f65 |
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modified:
pm_muairss_read.xml |
| b |
| diff -r 40071ff77285 -r 17da9f67ed33 pm_muairss_read.xml --- a/pm_muairss_read.xml Tue Jul 18 13:26:40 2023 +0000 +++ b/pm_muairss_read.xml Fri Jul 26 12:57:38 2024 +0000 |
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| @@ -2,7 +2,7 @@ <description>run clustering for optimised structures</description> <macros> <!-- version of this tool wrapper (integer) --> - <token name="@WRAPPER_VERSION@">0</token> + <token name="@WRAPPER_VERSION@">1</token> <import>muon_macros.xml</import> <xml name="supercell"> <param type="text" argument="supercell" value="1" label="Supercell" help="Supercell size and shape to use when saving cluster structures. This can either be a single int, a list of three integers or a 3x3 matrix of integers. For a single number a diagonal matrix will be generated with the integer repeated on the diagonals. For a list of three numbers a diagonal matrix will be generated where the diagonal elements are set to the list. A matrix will be used directly as is. Default is a 3x3 identity matrix."> @@ -86,9 +86,9 @@ </conditional> </inputs> <outputs> - <data label="Cluster report for $optimisation_results.name" name="cluster_report" format="txt" from_work_dir="${out_folder}/*clusters.txt"/> - <data label="Cluster data for $optimisation_results.name" name="cluster_data" format="txt" from_work_dir="${out_folder}/*clusters.dat"/> - <collection name="saved_structures" type="list" label="Minimal energy structures" format="txt"> + <data label="Cluster report on ${on_string}" name="cluster_report" format="txt" from_work_dir="${out_folder}/*clusters.txt"/> + <data label="Cluster data on ${on_string}" name="cluster_data" format="txt" from_work_dir="${out_folder}/*clusters.dat"/> + <collection name="saved_structures" type="list" label="Minimal energy structures on ${on_string}" format="txt"> <filter>clustering_save["clustering_save_format"] != "none"</filter> <discover_datasets pattern="__name_and_ext__" directory="minimal_clusters"/> </collection> |