Mercurial > repos > iuc > rrparser
changeset 0:0a6e076541f6 draft
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rrparser commit fd0e355b0bef38185e830b0426757596f26c346d
| author | iuc |
|---|---|
| date | Mon, 27 Jun 2022 20:27:06 +0000 |
| parents | |
| children | 7ee6e2bc2936 |
| files | rrparser.xml test-data/rules_in.csv test-data/rules_out.csv |
| diffstat | 3 files changed, 334 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/rrparser.xml Mon Jun 27 20:27:06 2022 +0000 @@ -0,0 +1,134 @@ +<tool id="rrparser" name="RRules Parser" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.09"> + <description>Retrieve the reaction rules from RetroRules</description> + <macros> + <token name="@VERSION_SUFFIX@">0</token> + <token name="@TOOL_VERSION@">2.5.0</token> + </macros> + <requirements> + <requirement type="package" version="@TOOL_VERSION@">rrparser</requirement> + </requirements> + <stdio> + <regex match="WARNING:" level="warning" /> + <regex match="ERROR:" level="fatal" /> + </stdio> + <command detect_errors="exit_code"><![CDATA[ + python -m rrparser + #if str($rules.type) != "rules-file": + --rules_file retrorules + --rule-type '$rules.type' + #else: + --rules_file '$rules.file' + --input-format '$rules.input_format' + #end if + --diameters '$diameters' + --output-format csv + --rules-dir "\${TMPDIR:-.}" + #if str($compress) == "true": + --outfile '$out_rules'.csv.gz + && mv '$out_rules'.csv.gz '$out_rules' + #else: + --outfile '$out_rules' + #end if + ]]></command> + <inputs> + <conditional name="rules"> + <param name="type" type="select" label="Rule Type" help="Return the rules that are in reverse, forward, both direction or from an input user file"> + <option value="retro" selected="True">RetroRules (retro)</option> + <option value="forward">RetroRules (forward)</option> + <option value="all">RetroRules (all)</option> + <option value="rules-file">Other reaction rules...</option> + </param> + <when value="rules-file"> + <param name="file" type="data" format="csv" optional="False" label="Rules File" help="Filename of reaction rules"/> + <param name="input_format" type="select" optional="False" label="File format" help="Input file format (default: csv)"> + <option value="csv" selected="True">csv</option> + <option value="tsv">tsv</option> + </param> + </when> + </conditional> + <param argument="--diameters" type="select" display="checkboxes" multiple="True" label="Select the diameters of the reactions rules" help=" Diameter of the sphere including the atoms around the reacting center (default is including all values: 2,4,6,8,10,12,14,16). The higher is the diameter, the more specific are the rules"> + <option selected="true" value="2">2</option> + <option selected="true" value="4">4</option> + <option selected="true" value="6">6</option> + <option selected="true" value="8">8</option> + <option selected="true" value="10">10</option> + <option selected="true" value="12">12</option> + <option selected="true" value="14">14</option> + <option selected="true" value="16">16</option> + </param> + <param name="compress" type="boolean" checked="false" label="Compress output" /> + </inputs> + <outputs> + <data name="out_rules" format="csv" label="${tool.name}(${rules.type}, d=$diameters)" > + <change_format> + <when input="compress" format="tar" value="true"/> + </change_format> + </data> + </outputs> + <tests> + <test> + <!-- test 1: check if identical outputs are produced with default parameters--> + <output name="out_rules" md5="54806bd44f7a8414e78439e3bb99e6d8"/> + </test> + <test> + <!-- test 2: check if identical outputs are produced with diameters=2,4,6--> + <param name="diameters" value="2,4,6"/> + <output name="out_rules" md5="12a55e1a3c7822a35ed799afa59b2aa2"/> + </test> + <test> + <!-- test 3: check if identical outputs are produced with csv input rules file--> + <conditional name="rules"> + <param name="type" value="rules-file"/> + <param name="file" value="rules_in.csv" /> + </conditional> + <output name="out_rules" file="rules_out.csv" ftype="csv" compare="diff"/> + </test> + </tests> + <help><![CDATA[ +RRulesParser +============ + +Retrieve the reaction rules from `RetroRules <https://retrorules.org/>`_ extracted from public databases and expressed in the community-standard SMARTS (SMILES arbitrary target specification) format, augmented by a rule representation at different levels of specificity (the atomic environment around the reaction center). + +The generated output is a file containing reaction rules which are generic descriptions of chemical reactions that can be used in retrosynthesis workflows (e.g. `Retrosynthesis KNIME Workflow <https://www.myexperiment.org/workflows/4987/versions/2.html>`_) in order to enumerate all possible biosynthetic routes connecting a target molecule to its precursors. + +Input +----- + +* **Rule Type**: (string) Return the rules that are in reverse, forward, both direction or from an input user file +* **rules-file**: (string) Filename of reaction rules provided in csv or tsv format. +* **input_format**: (string) input file format (csv: default, tsv) +* **diameters**: (integer list) diameter of the sphere including the atoms around the reacting center (default is including all values: 2,4,6,8,10,12,14,16). The higher is the diameter, the more specific are the rules + +Ouput +----- + +* **out_rules**: (string): file containing the parsed reactions rules (default=csv). It will be zipped if *Compress output* is set to yes. + +Version +------- + +v2.5.0 + +Authors +------- + +* **Thomas Duigou** +* Melchior du Lac +* Joan Hérisson + +License +------- + +This project is licensed under the MIT License - see the `LICENSE <https://github.com/brsynth/RRParser/blob/master/LICENSE>`_ file for details + +Acknowledgments +--------------- + +* Joan Hérisson + + ]]></help> + <citations> + <citation type="doi">10.1093/nar/gky940 </citation> + </citations> +</tool> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rules_in.csv Mon Jun 27 20:27:06 2022 +0000 @@ -0,0 +1,100 @@ +Rule ID,Rule,EC number,Reaction order,Diameter,Score,Legacy ID,Reaction direction,Rule relative direction,Rule usage,Score normalized +RR-02-fbdda75e23f518b6-02-F,([#6&v4:1](=[#8&v2:2])(-[#6&v4:3](-[#6&v4:4])(-[#1&v1:5])-[#1&v1:6])-[#1&v1:7])>>([#6&v4:1](-[#8&v2:2]-[#1&v1:6])(-[#6&v4:3](-[#6&v4:4])(-[#8&v2]-[#1&v1])-[#1&v1:5])(-[#1&v1:7])-[#1&v1]),NOEC,1,2,4.295611076923876,MNXR94682_MNXM821,0,0,both,0.10469674387190456 +RR-02-0250d458c4991a7d-02-F,([#6&v4:1](-[#8&v2:2]-[#1&v1:3])(-[#6&v4:4](-[#6&v4:5])(-[#8&v2:6]-[#1&v1:7])-[#1&v1:8])(-[#1&v1:9])-[#1&v1:10])>>([#6&v4:1](=[#8&v2:2])(-[#6&v4:4](-[#6&v4:5])(-[#1&v1:8])-[#1&v1:3])-[#1&v1:9].[#8&v2:6](-[#1&v1:7])-[#1&v1:10]),NOEC,1,2,4.295611076923876,MNXR94682_MNXM90191,0,0,both,0.10469674387190456 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+RR-02-391198512a8fc0d4-02-F,([#6&v4:1]-[#6&v4:2](-[#6&v4:3](-[#6&v4:4](=[#8&v2:5])-[#6&v4:6])(-[#1&v1:7])-[#1&v1:8])(-[#1&v1:9])-[#1&v1:10])>>([#6&v4:3](-[#6&v4:4](-[#6&v4:6])(-[#1&v1:7])-[#1&v1:8])(=[#8&v2:5])-[#8&v2]-[#1&v1].[#6&v4:1]-[#6&v4:2](-[#6&v4](=[#8&v2])-[#6&v4](-[#6&v4](-[#6&v4](-[#8&v2]-[#1&v1])=[#8&v2])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1:9])-[#1&v1:10]),2.8.3.6,1,2,0.6989700043360189,MNXR94940_MNXM1264,-1,-1,retro,0.41815468538290146 +RR-02-ce4ed7d524419ece-02-F,([#6&v4:1](=[#8&v2:2])(-[#8&v2:3]-[#1&v1:4])-[#6&v4:5])>>([#8&v2](-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4]1(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]2:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]3:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:3)(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-1(-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](=[#7&v3]-[#6&v4](-[#6&v4](-[#6&v4](=[#7&v3]-[#6&v4](-[#6&v4](-[#16&v2]-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](=[#8&v2])-[#8&v2:3]-[#1&v1:4])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])=[#8&v2])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#8&v2]-[#1&v1])(-[#8&v2]-[#1&v1])-[#1&v1])(-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1].[#8&v2](-[#6&v4](=[#8&v2])-[#6&v4](-[#6&v4:1](=[#8&v2:2])-[#6&v4:5])(-[#1&v1])-[#1&v1])-[#1&v1]),2.8.3.6,1,2,0.6989700043360189,MNXR94940_MNXM25,-1,-1,retro,0.41815468538290146 +RR-02-6d2fe140bdd4bb66-02-F,([#6&v4:1]:[#6&v4:2](-[#8&v2:3]-[#1&v1:4]):[#6&v4:5])>>([#6&v4:1]:[#6&v4:2](-[#1&v1:4]):[#6&v4:5].[#8&v2:3]=[#8&v2]),NOEC,1,2,2.24551266781415,MNXR94965_MNXM2783,0,0,both,0.18280846932054326 +RR-02-0e609023fbda6ee1-02-F,([#6&v4:1]:[#6&v4:2](-[#1&v1:3]):[#6&v4:4])>>([#6&v4:1]:[#6&v4:2](-[#8&v2]-[#1&v1:3]):[#6&v4:4]),NOEC,1,2,2.24551266781415,MNXR94965_MNXM3167,0,0,both,0.18280846932054326 +RR-02-358afa1261aac3de-02-F,([#6&v4:1](-[#6&v4:2])(-[#1&v1:3])(-[#1&v1:4])-[#1&v1:5])>>([#8&v2](-[#6&v4](-[#6&v4]1(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]2:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]3:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:3)(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-1(-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#15&v5](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](=[#7&v3]-[#6&v4](-[#6&v4](-[#6&v4](-[#8&v2]-[#1&v1])=[#7&v3]-[#6&v4](-[#6&v4](-[#16&v2]-[#1&v1:5])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#8&v2]-[#1&v1])(-[#8&v2]-[#1&v1])-[#1&v1])(-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1].[#8&v2](-[#6&v4](=[#8&v2])-[#6&v4](-[#6&v4](-[#6&v4](=[#8&v2])-[#6&v4:1](-[#6&v4:2])(-[#1&v1:3])-[#1&v1:4])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#1&v1]),2.3.1.16;2.3.1.174,1,2,0.6020599913279624,MNXR94967_MNXM21,1,1,retro,0.45484772422706443 +RR-02-1794eeb97a0ab9c0-02-F,([#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#16&v2:4]-[#6&v4:5])>>([#6&v4:5]-[#16&v2:4]-[#1&v1].[#8&v2](-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4]1(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]2:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]3:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:3)(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-1(-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](=[#7&v3]-[#6&v4](-[#6&v4](-[#6&v4](=[#7&v3]-[#6&v4](-[#6&v4](-[#16&v2]-[#6&v4](-[#6&v4](-[#6&v4:2](-[#6&v4:1])=[#8&v2:3])(-[#1&v1])-[#1&v1])=[#8&v2])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#8&v2]-[#1&v1])(-[#8&v2]-[#1&v1])-[#1&v1])(-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1]),2.3.1.16;2.3.1.174,1,2,0.0,MNXR94967_MNXM92,1,1,retro,1.0 +RR-02-0c2385ca3117a379-02-F,([#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#8&v2:4]-[#1&v1:5])>>([#8&v2:4](-[#1&v1])-[#1&v1:5].[#8&v2](-[#6&v4](-[#6&v4]1(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]2:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]3:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:3)(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-1(-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#15&v5](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4](-[#6&v4](-[#6&v4](=[#7&v3]-[#6&v4](-[#6&v4](-[#6&v4](-[#8&v2]-[#1&v1])=[#7&v3]-[#6&v4](-[#6&v4](-[#16&v2]-[#6&v4:2](-[#6&v4:1])=[#8&v2:3])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])-[#8&v2]-[#1&v1])(-[#8&v2]-[#1&v1])-[#1&v1])(-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1]),3.1.2;3.1.2.20;3.1.2.23,1,2,0.4771212547196624,MNXR94976_MNXM1639,-1,-1,retro,0.5128681484037748 +RR-02-18c81873156024c3-02-F,([#6&v4:1]-[#16&v4:2](=[#8&v2:3])-[#8&v2:4])>>([#6&v4:1]-[#16&v6:2](=[#8&v2:3])(-[#8&v2:4])=[#8&v2]),NOEC,1,2,4.295611076923876,MNXR94979_MNXM498,0,0,both,0.10469674387190456
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rules_out.csv Mon Jun 27 20:27:06 2022 +0000 @@ -0,0 +1,100 @@ +Rule ID,Rule,EC number,Reaction order,Diameter,Score,Legacy ID,Reaction direction,Rule relative direction,Rule usage,Score normalized +RR-02-fbdda75e23f518b6-02-F,([#6&v4:1](=[#8&v2:2])(-[#6&v4:3](-[#6&v4:4])(-[#1&v1:5])-[#1&v1:6])-[#1&v1:7])>>([#6&v4:1](-[#8&v2:2]-[#1&v1:6])(-[#6&v4:3](-[#6&v4:4])(-[#8&v2]-[#1&v1])-[#1&v1:5])(-[#1&v1:7])-[#1&v1]),NOEC,1,2,4.295611076923876,MNXR94682_MNXM821,0,0,both,0.10469674387190456 +RR-02-0250d458c4991a7d-02-F,([#6&v4:1](-[#8&v2:2]-[#1&v1:3])(-[#6&v4:4](-[#6&v4:5])(-[#8&v2:6]-[#1&v1:7])-[#1&v1:8])(-[#1&v1:9])-[#1&v1:10])>>([#6&v4:1](=[#8&v2:2])(-[#6&v4:4](-[#6&v4:5])(-[#1&v1:8])-[#1&v1:3])-[#1&v1:9].[#8&v2:6](-[#1&v1:7])-[#1&v1:10]),NOEC,1,2,4.295611076923876,MNXR94682_MNXM90191,0,0,both,0.10469674387190456 +RR-02-c3681aa8011dc014-02-F,([#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#6&v4:4])>>([#6&v4:1]-[#6&v4:2](-[#8&v2:3]-[#1&v1])(-[#6&v4:4])-[#1&v1]),1.1.1.-,1,2,3.068556895072363,MNXR94689_MNXM101404,0,0,both,0.14067341551302287 +RR-02-1364a3f2a297c78c-02-F,([#6&v4:1]-[#6&v4:2](-[#8&v2:3]-[#1&v1:4])(-[#6&v4:5])-[#1&v1:6])>>([#1&+&v0:4].[#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#6&v4:5].[#6&v4]1(-[#1&v1]):[#7&v3]:[#6&v4]2:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:[#7&v3]:1-[#6&v4]1(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4]2(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]3-[#6&v4](-[#1&v1])=[#6&v4](-[#6&v4](=[#7&v3]-[#1&v1])-[#8&v2]-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1:6])-[#6&v4](-[#1&v1])=[#6&v4]-3-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-2(-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#8&v2]-1),1.1.1.-,1,2,2.8750612633917005,MNXR94689_MNXM9689,0,0,both,0.14873280218232202 +RR-02-2860703b5bba4808-02-F,([#8&v2:1](-[#8&v2:2]-[#6&v4:3])-[#1&v1:4])>>([#8&v2:1](-[#1&v1:4])-[#1&v1].[#8&v2:2](-[#6&v4:3])-[#1&v1]),NOEC,1,2,0.0,MNXR94690_MNXM2313,0,0,both,1.0 +RR-02-5594c358cc56f547-02-F,([#8&v2:1](-[#6&v4:2])-[#1&v1:3])>>([#1&+&v0:3].[#8&v2](-[#8&v2:1]-[#6&v4:2])-[#1&v1]),NOEC,1,2,0.0,MNXR94690_MNXM9689,0,0,both,1.0 +RR-02-40c5de14c04712c6-02-F,([#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#1&v1:4])>>([#6&v4:1]-[#6&v4:2](-[#8&v2:3]-[#1&v1])(-[#1&v1])-[#1&v1:4]),1.1.1.202,1,2,2.4517864355242898,MNXR94691_MNXM1526,0,0,both,0.17004370207003422 +RR-02-fcc8935f8e5c652c-02-F,([#6&v4:1]-[#6&v4:2](-[#8&v2:3]-[#1&v1:4])(-[#1&v1:5])-[#1&v1:6])>>([#1&+&v0:4].[#6&v4:1]-[#6&v4:2](=[#8&v2:3])-[#1&v1:6].[#6&v4]1(-[#1&v1]):[#7&v3]:[#6&v4]2:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:[#7&v3]:1-[#6&v4]1(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4]2(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]3-[#6&v4](-[#1&v1])=[#6&v4](-[#6&v4](=[#7&v3]-[#1&v1])-[#8&v2]-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1:5])-[#6&v4](-[#1&v1])=[#6&v4]-3-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-2(-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#8&v2]-1),1.1.1.202,1,2,2.133538908370217,MNXR94691_MNXM2861,0,0,both,0.19057431907203484 +RR-02-2961e0cd92ffd16f-02-F,([#6&v4:1]-[#6&v4:2](-[#1&v1:3])(-[#7&v3:4](-[#1&v1:5])-[#6&v4:6])-[#6&v4:7])>>([#1&+&v0:5].[#6&v4:1]-[#6&v4:2](=[#7&v3:4]-[#6&v4:6])-[#6&v4:7].[#6&v4]1(-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]2:[#7&v3](-[#6&v4]3(-[#1&v1])-[#6&v4](-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4]4(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]5-[#6&v4](-[#1&v1])=[#6&v4](-[#6&v4](=[#7&v3]-[#1&v1])-[#8&v2]-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1:3])-[#6&v4](-[#1&v1])=[#6&v4]-5-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-4(-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#8&v2]-3):[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:1:2),1.5.1.1;1.5.1.21;1.5.1.25,1,2,1.2552725051033058,MNXR94711_MNXM684,1,1,retro,0.2858035578011269 +RR-02-348f4f56cd2f2fbd-02-F,([#6&v4:1]-[#6&v4:2](-[#1&v1:3])(-[#7&v3:4](-[#1&v1:5])-[#6&v4:6])-[#6&v4:7])>>([#1&+&v0:5].[#6&v4:1]-[#6&v4:2](=[#7&v3:4]-[#6&v4:6])-[#6&v4:7].[#6&v4]1(-[#1&v1]):[#7&v3]:[#6&v4]2:[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:[#6&v4]:2:[#7&v3]:1-[#6&v4]1(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](-[#8&v2]-[#15&v5](-[#8&v2]-[#6&v4](-[#6&v4]2(-[#1&v1])-[#8&v2]-[#6&v4](-[#7&v3]3-[#6&v4](-[#1&v1])=[#6&v4](-[#6&v4](=[#7&v3]-[#1&v1])-[#8&v2]-[#1&v1])-[#6&v4](-[#1&v1])(-[#1&v1:3])-[#6&v4](-[#1&v1])=[#6&v4]-3-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-2(-[#8&v2]-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(=[#8&v2])-[#8&v2]-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#8&v2]-1),1.5.1.1;1.5.1.21,1,2,1.2552725051033058,MNXR94712_MNXM684,1,1,retro,0.2858035578011269 +RR-02-081d4d214a20ffc4-02-F,([#6&v4:1]-[#8&v2:2]-[#1&v1:3].[#8&v2:4]-[#15&v5:5](=[#8&v2:6])(-[#8&v2:7]-[#1&v1:8])-[#8&v2:9])>>([#6&v4:1]-[#8&v2:2]-[#15&v5:5](=[#8&v2:6])(-[#8&v2:9])-[#8&v2:4].[#8&v2:7](-[#1&v1:3])-[#1&v1:8]),3.1.4.16,1,2,1.7075701760979365,MNXR94722_MNXM1985,-1,-1,retro,0.22730844438799006 +RR-02-2b105cf5afec5429-02-F,([#6&v4:1]-[#8&v2:2]-[#1&v1:3].[#8&v2:4]-[#15&v5:5](=[#8&v2:6])(-[#8&v2:7]-[#1&v1:8])-[#8&v2:9])>>([#8&v2:7](-[#1&v1:8])-[#1&v1:3].[#8&v2:4]-[#15&v5:5](=[#8&v2:6])(-[#8&v2:9])-[#8&v2:2]-[#6&v4:1]),3.1.4.16,1,2,1.3424226808222062,MNXR94723_MNXM2184,-1,-1,retro,0.27230155912227877 +RR-02-2b105cf5afec5429-02-F,([#6&v4:1]-[#8&v2:2]-[#1&v1:3].[#8&v2:4]-[#15&v5:5](=[#8&v2:6])(-[#8&v2:7]-[#1&v1:8])-[#8&v2:9])>>([#8&v2:7](-[#1&v1:8])-[#1&v1:3].[#8&v2:4]-[#15&v5:5](=[#8&v2:6])(-[#8&v2:9])-[#8&v2:2]-[#6&v4:1]),3.1.4.16,1,2,1.3424226808222062,MNXR94724_MNXM2182,-1,-1,retro,0.27230155912227877 +RR-02-2b105cf5afec5429-02-F,([#6&v4:1]-[#8&v2:2]-[#1&v1:3].[#8&v2:4]-[#15&v5:5](=[#8&v2:6])(-[#8&v2:7]-[#1&v1:8])-[#8&v2:9])>>([#8&v2:7](-[#1&v1:8])-[#1&v1:3].[#8&v2:4]-[#15&v5:5](=[#8&v2:6])(-[#8&v2:9])-[#8&v2:2]-[#6&v4:1]),3.1.4.16,1,2,1.3424226808222062,MNXR94725_MNXM2183,-1,-1,retro,0.27230155912227877 +RR-02-914837f186d0084a-02-F,([#6&v4:1]1(-[#1&v1:2])(-[#1&v1:3])-[#6&v4:4](-[#6&v4:5])(-[#1&v1:6])-[#7&v3:7]=[#6&v4:8](-[#6&v4:9])-[#6&v4:10](-[#1&v1:11])=[#6&v4:12]-1-[#1&v1:13])>>([#1&+&v0:3].[#6&v4:1]1(-[#1&v1:2]):[#6&v4:4](-[#6&v4:5]):[#7&v3:7]:[#6&v4:8](-[#6&v4:9]):[#6&v4:10](-[#1&v1:11]):[#6&v4:12]:1-[#1&v1:13].[#7&v3](=[#6&v4](-[#8&v2]-[#1&v1])-[#6&v4]1=[#6&v4](-[#1&v1])-[#7&v3](-[#6&v4]2(-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4](-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#15&v5](=[#8&v2])(-[#8&v2]-[#1&v1])-[#8&v2]-[#6&v4](-[#6&v4]3(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4](-[#7&v3]4:[#6&v4]5:[#6&v4](:[#7&v3]:[#6&v4]:4-[#1&v1]):[#6&v4](-[#7&v3](-[#1&v1])-[#1&v1]):[#7&v3]:[#6&v4](-[#1&v1]):[#7&v3]:5)(-[#1&v1])-[#8&v2]-3)(-[#1&v1])-[#1&v1])(-[#1&v1])-[#1&v1])(-[#1&v1])-[#6&v4](-[#8&v2]-[#1&v1])(-[#1&v1])-[#6&v4]-2(-[#8&v2]-[#1&v1])-[#1&v1])-[#6&v4](-[#1&v1])=[#6&v4](-[#1&v1])-[#6&v4]-1(-[#1&v1])-[#1&v1:6])-[#1&v1]),NOEC,1,2,4.295611076923876,MNXR94742_MNXM163139,0,0,both,0.10469674387190456 +RR-02-77612ec728280d3e-02-F,([#6&v4:1]1(-[#1&v1:2]):[#6&v4:3](-[#6&v4:4]):[#7&v3:5]:[#6&v4:6](-[#6&v4:7]):[#6&v4:8](-[#1&v1:9]):[#6&v4:10]:1-[#1&v1:11])>>([#6&v4:1]1(-[#1&v1:2])(-[#1&v1])-[#6&v4:3](-[#6&v4:4])(-[#1&v1])-[#7&v3:5]=[#6&v4:6](-[#6&v4:7])-[#6&v4:8](-[#1&v1:9])=[#6&v4:10]-1-[#1&v1:11]),NOEC,1,2,4.295611076923876,MNXR94742_MNXM5133,0,0,both,0.10469674387190456 +RR-02-816e42d0572b2247-02-F,([#8&v2:1](-[#6&v4:2])-[#6&v4:3](=[#8&v2:4])-[#6&v4:5])>>([#8&v2](-[#6&v4:3](=[#8&v2:4])-[#6&v4:5])-[#1&v1].[#8&v2:1](-[#6&v4:2])-[#1&v1]),2.3.1.40,1,2,1.0,MNXR94760_MNXM32178,1,1,retro,0.33436669294558924 +RR-02-f35f06f7fc99a0f4-02-F,([#6&v4:1]-[#8&v2:2]-[#6&v4:3](=[#8&v2:4])-[#6&v4:5])>>([#6&v4:3](=[#8&v2:4])(-[#6&v4:5])-[#8&v2]-[#1&v1].[#6&v4:1]-[#8&v2:2]-[#1&v1]),2.3.1.40,1,2,0.6989700043360189,MNXR94762_MNXM31536,-1,-1,retro,0.41815468538290146 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