| Previous changeset 12:17fbb6aa450b (2025-04-02) |
|
Commit message:
planemo upload for repository https://github.com/brsynth/rrparser commit 15dbdd1f0a222a8e1b0fb5c16b36885520a3d005 |
|
modified:
rrparser.xml |
|
added:
test-data/ec.txt |
|
removed:
test-data/ec.csv |
| b |
| diff -r 17fbb6aa450b -r a76972fe49bc rrparser.xml --- a/rrparser.xml Wed Apr 02 13:40:57 2025 +0000 +++ b/rrparser.xml Mon Apr 07 07:47:30 2025 +0000 |
| b |
| @@ -1,7 +1,7 @@ <tool id="rrparser" name="RRules Parser" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="24.2" license="MIT"> <description>Retrieve the reaction rules from RetroRules</description> <macros> - <token name="@VERSION_SUFFIX@">3</token> + <token name="@VERSION_SUFFIX@">4</token> <token name="@TOOL_VERSION@">2.7.0</token> </macros> <requirements> @@ -69,10 +69,10 @@ </param> <when value="no" /> <when value="in"> - <param name="input_ec_in" type="data" format="csv" label="File containing EC numbers" help="EC numbers on one line separted by a comma" /> + <param name="input_ec_in" type="data" format="txt" label="File containing EC numbers" help="EC numbers on one line separted by a comma" /> </when> <when value="out"> - <param name="input_ec_out" type="data" format="csv" label="File containing EC numbers" help="EC numbers on one line separted by a comma" /> + <param name="input_ec_out" type="data" format="txt" label="File containing EC numbers" help="EC numbers on one line separted by a comma" /> </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"> @@ -124,13 +124,13 @@ <section name="adv"> <conditional name="input_conditional_ec"> <param name="input_type" value="in"/> - <param name="input_ec_in" value="ec.csv"/> + <param name="input_ec_in" value="ec.txt"/> </conditional> </section> <output name="out_rules" file="test.4.output.csv" ftype="csv" compare="diff"/> </test> <test> - <!-- python -m rrparser -rules_file rules_in.csv -input-format csv -ecx ec.csv -diameters 2,4,6,8,10,12,14,16 -output-format csv -outfile test.5.output.csv --> + <!-- python -m rrparser -rules_file rules_in.csv -input-format csv -ecx ec.txt -diameters 2,4,6,8,10,12,14,16 -output-format csv -outfile test.5.output.csv --> <conditional name="rules"> <param name="type" value="rules-file"/> <param name="file" value="rules_in.csv" /> @@ -138,7 +138,7 @@ <section name="adv"> <conditional name="input_conditional_ec"> <param name="input_type" value="out"/> - <param name="input_ec_out" value="ec.csv"/> + <param name="input_ec_out" value="ec.txt"/> </conditional> </section> <output name="out_rules" file="test.5.output.csv" ftype="csv" compare="diff"/> |
| b |
| diff -r 17fbb6aa450b -r a76972fe49bc test-data/ec.csv --- a/test-data/ec.csv Wed Apr 02 13:40:57 2025 +0000 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 |
| b |
| @@ -1,1 +0,0 @@ -1.1.1.202,2.3.1.40,NOEC,1.2.3,2.4.1 \ No newline at end of file |
| b |
| diff -r 17fbb6aa450b -r a76972fe49bc test-data/ec.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/ec.txt Mon Apr 07 07:47:30 2025 +0000 |
| b |
| @@ -0,0 +1,1 @@ +1.1.1.202,2.3.1.40,NOEC,1.2.3,2.4.1 \ No newline at end of file |