Mercurial > repos > ximgchess > chap_test_20230411
changeset 62:2679014bb6eb draft
planemo upload for repository https://github.com/CHESSComputing/ChessAnalysisPipeline commit e280dd942513f966a9a61a3af68ee7972fb8992f-dirty
author | ximgchess |
---|---|
date | Thu, 13 Apr 2023 12:40:41 +0000 |
parents | a560d5143348 |
children | be4a6ceb0a3d |
files | saxswaxs/ignoreshed.yml saxswaxs/klspipeline.yaml tomo/pipeline_reduce_nexus.yaml tomo/pipeline_reduce_yaml.yaml tomo/tomo_macros.xml tomo/tomo_reduce.xml |
diffstat | 6 files changed, 25 insertions(+), 60 deletions(-) [+] |
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--- a/saxswaxs/ignoreshed.yml Thu Apr 13 12:18:11 2023 +0000 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,7 +0,0 @@ -name: chap_test_20230328 -owner: kls286 -description: A generic test pipeline for CHAP -remote_repository_url: https://github.com/CHESSComputing/ChessAnalysisPipeline -type: unrestricted -categories: -- Structural Materials Analysis
--- a/saxswaxs/klspipeline.yaml Thu Apr 13 12:18:11 2023 +0000 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,33 +0,0 @@ -pipeline: - - # Download example data - - common.URLReader: - url: https://gitlab01.classe.cornell.edu/api/v4/projects/308/repository/files/saxswaxs%2frawdata_test_1d.tar/raw?ref=main - headers: - PRIVATE-TOKEN: glpat-sH-sniHbynCxUDJBpv5V # your token here - - common.URLResponseProcessor - - common.ExtractArchiveWriter: - filename: . - - # Collect map data - - common.YAMLReader: - filename: map.yaml - schema: MapConfig - - common.MapProcessor - - common.NexusWriter: - filename: map_specdata.nxs - force_overwrite: true - - # Integrate map detetcor data - - common.MultipleReader: - readers: - - YAMLReader: - filename: map.yaml - schema: MapConfig - - YAMLReader: - filename: integration.yaml - schema: IntegrationConfig - - common.IntegrateMapProcessor - - common.NexusWriter: - filename: map_reduceddata.nxs - force_overwrite: true
--- a/tomo/pipeline_reduce_nexus.yaml Thu Apr 13 12:18:11 2023 +0000 +++ b/tomo/pipeline_reduce_nexus.yaml Thu Apr 13 12:40:41 2023 +0000 @@ -8,7 +8,9 @@ - YAMLReader: filename: reduce.yaml schema: TomoReduceConfig - - tomo.TomoDataProcessor + - tomo.TomoDataProcessor: + output_folder: tomo_reduce_plots + save_figs: 'only' - common.NexusWriter: filename: output.nex force_overwrite: true
--- a/tomo/pipeline_reduce_yaml.yaml Thu Apr 13 12:18:11 2023 +0000 +++ b/tomo/pipeline_reduce_yaml.yaml Thu Apr 13 12:40:41 2023 +0000 @@ -9,7 +9,9 @@ - YAMLReader: filename: reduce.yaml schema: TomoReduceConfig - - tomo.TomoDataProcessor + - tomo.TomoDataProcessor: + output_folder: tomo_reduce_plots + save_figs: 'only' - common.NexusWriter: filename: output.nex force_overwrite: true
--- a/tomo/tomo_macros.xml Thu Apr 13 12:18:11 2023 +0000 +++ b/tomo/tomo_macros.xml Thu Apr 13 12:40:41 2023 +0000 @@ -1,10 +1,10 @@ <macros> <token name="@TOOL_VERSION@">0.1.0</token> <token name="@PROFILE@">21.09</token> - <token name="@PYTHON_TEMPLATE_VERSION@">3.9.13</token> + <token name="@PYTHON_TEMPLATE_VERSION@">3.9</token> <xml name="requirements"> <requirements> - <requirement type="package" version="0.0.3">chessanalysispipeline</requirement> + <requirement type="package" version="0.0.4">chessanalysispipeline</requirement> <requirement type="package" version="1.1.0">lmfit</requirement> <requirement type="package" version="3.7.1">matplotlib</requirement> <requirement type="package" version="1.0.1">nexusformat</requirement>
--- a/tomo/tomo_reduce.xml Thu Apr 13 12:18:11 2023 +0000 +++ b/tomo/tomo_reduce.xml Thu Apr 13 12:40:41 2023 +0000 @@ -7,32 +7,33 @@ <command detect_errors="exit_code"> <![CDATA[ mkdir tomo_reduce_plots; - pip --exists-action i install certif-pyspec==1.5.3 && - #if str($map.type_selector) == "YAML" - cp '$input_file' map.yaml && + $__tool_directory__/../pip_install.sh 'certif-pyspec==1.5.3' && + #if str($map.type_selector) == "yaml" + cp $input_file map.yaml && + cat $__tool_directory__/andor2.yaml $tool_config > reduce.yaml && #else - cp '$input_file' setup.nex && + cp $input_file setup.nex && + cp $tool_config reduce.yaml && #end if - cp '$tool_config' reduce.yaml && CHAP --config - #if str($map.type_selector) == "YAML" - '$__tool_directory__/pipeline_reduce_yaml.yaml' + #if str($map.type_selector) == "yaml" + $__tool_directory__/pipeline_reduce_yaml.yaml #else - '$__tool_directory__/pipeline_reduce_nexus.yaml' + $__tool_directory__/pipeline_reduce_nexus.yaml #end if ]]> </command> <configfiles> <configfile name="tool_config"> <![CDATA[#slurp - #echo 'img_x_bounds:' # - #if str($img_x_bounds.type_selector) == "full_range" - #echo '- -1' - #echo '- -1' - #else - #echo '- ' + str($img_x_bounds.low) - #echo '- ' + str($img_x_bounds.upp) - #end if +#echo 'img_x_bounds:' # +#if str($img_x_bounds.type_selector) == "full_range" +#echo '- -1' # +#echo '- -1' # +#else +#echo '- ' + str($img_x_bounds.low) # +#echo '- ' + str($img_x_bounds.upp) # +#end if ]]> </configfile> </configfiles>