Mercurial > repos > ximgchess > hexrd
changeset 2:f0db3e3b9d99 draft
"planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hexrd commit 447defcd2ae30127f163e6a3adec52926f4a6c9c"
author | ximgchess |
---|---|
date | Mon, 07 Dec 2020 22:32:14 +0000 |
parents | a0be4e3aa66d |
children | 54513f5fc836 |
files | hexrd_find_orientations.xml hexrd_fit_grains.xml macros.xml |
diffstat | 3 files changed, 56 insertions(+), 12 deletions(-) [+] |
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--- a/hexrd_find_orientations.xml Mon Nov 23 16:20:31 2020 +0000 +++ b/hexrd_find_orientations.xml Mon Dec 07 22:32:14 2020 +0000 @@ -78,7 +78,10 @@ </test> </tests> <help><![CDATA[ - TODO: Fill in help. +**HEXRD find-orientations** +@HEXRD_HELP@ +@COMMON_INPUTS_HELP@ +@FIND_ORIENTATIONS_OUTPUTS_HELP@ ]]></help> <expand macro="citations" /> </tool>
--- a/hexrd_fit_grains.xml Mon Nov 23 16:20:31 2020 +0000 +++ b/hexrd_fit_grains.xml Mon Dec 07 22:32:14 2020 +0000 @@ -1,4 +1,4 @@ -<tool id="hexrd_fit_grains" name="HEXRD fit-grains" version="@TOOL_VERSION@.0" python_template_version="3.5"> +<tool id="hexrd_fit_grains" name="HEXRD fit-grains" version="@TOOL_VERSION@+galaxy0" python_template_version="3.5"> <description>Extracts G vectors, grain position and strain</description> <macros> <import>macros.xml</import> @@ -67,7 +67,10 @@ </test> </tests> <help><![CDATA[ - TODO: Fill in help. +**HEXRD fit-grains** +@HEXRD_HELP@ +@FIT_GRAIN_INPUTS_HELP@ +@FIT_GRAINS_OUTPUTS_HELP@ ]]></help> <expand macro="citations" /> </tool>
--- a/macros.xml Mon Nov 23 16:20:31 2020 +0000 +++ b/macros.xml Mon Dec 07 22:32:14 2020 +0000 @@ -124,8 +124,10 @@ <section name="orientation_maps" title="Orientation Maps" expanded="true"> <param name="threshold" type="integer" value="25" min="1" label="threshold"/> <param name="bin_frames" type="integer" value="1" label="bin frames"/> - <param name="active_hkls" type="text" value="" optional="true" label="active hkls"> - <validator type="regex" message="">^\d(,\d)*$</validator> + <!-- active_hkls should be able to be optional="true" --> + <param name="active_hkls" type="text" value="" label="active hkl planes"> + <help>commas separated list of planes, e.g.: 0,1,2,3,4,5</help> + <validator type="regex" message="plane indeces separated by commas">^\d(,\d)*$</validator> </param> </section> <param name="on_map_threshold" type="integer" value="1" min="1" label="on-map threshold used in the scoring"/> @@ -136,7 +138,9 @@ <option value="use_quaternion_grid">use quaternion grid</option> </param> <when value="seed_search"> - <param name="hkl_seeds" type="text" value="" optional="true" label="hkl seeds"> + <!-- hkl_seeds should be able to be optional="true" --> + <param name="hkl_seeds" type="text" value="" label="hkl seeds"> + <help>commas separated list of planes, e.g.: 0,1,2 (subset of active hkl planes)</help> <validator type="regex" message="">^\d(,\d)*$</validator> </param> <param name="fiber_step" type="float" value="0.5" min="0" max="10" label="fiber step"/> @@ -311,11 +315,8 @@ fit_grains: do_fit: $do_fit # if false, extracts grains but doesn't fit. defaults to true - # estimate: null - npdiv: $npdiv # number of polar pixel grid subdivisions, defaults to 2 - threshold: $threshold #set $tth = [] @@ -323,9 +324,9 @@ #set $omega = [] #set refit = '[' + str($tolerance.refit) + ']' #for $tol in $tolerance.tolerance_lists -$tth.append(float($tol.tth)) -$eta.append(float($tol.eta)) -$omega.append(float($tol.omega)) +#silent $tth.append(float($tol.tth)) +#silent $eta.append(float($tol.eta)) +#silent $omega.append(float($tol.omega)) #end for tolerance: tth: $tth # tolerance lists must be identical length @@ -339,5 +340,42 @@ tth_max: $tolerance.max_tth.tth_max_value # true, false, or a non-negative value, defaults to true #end if ]]></token> + <token name="@HEXRD_HELP@"><![CDATA[ +HEXRD_ provides analysis of x-ray diffraction data, especially high-energy x-ray diffraction. HEXRD is comprised of a library and API for writing scripts, a command line interface, and an interactive graphical user interface. + +.. _HEXRD: https://github.com/HEXRD/hexrd +]]></token> + + <token name="@COMMON_INPUTS_HELP@"><![CDATA[ + +**INPUTS** + + - imageseries - Detector image files converted to sparse matrix compressed numpy arrays. + - instrument - A yaml file that decribes the instrument + - materials.hexrd - A "pickled" hexrd Materials object that desscribes the sample material +]]></token> + <token name="@FIT_GRAIN_INPUTS_HELP@"><![CDATA[@COMMON_INPUTS_HELP@ + - analysis eta-ome_maps.npz from find_orientations + - accepted_orientations from find_orientations + +]]></token> + + <token name="@COMMON_OUTPUTS_HELP@"><![CDATA[ + +**OUTPUTS** + + - config yaml - parameter for hexrd + - log - the hexrd logging output + - grains.out +]]></token> + <token name="@FIND_ORIENTATIONS_OUTPUTS_HELP@"><![CDATA[@COMMON_OUTPUTS_HELP@ + - analysis eta-ome_maps.npz *(used as input for hexrd fit-grains)* + - analysis accepted_orientations_analysis.dat *(used as input for hexrd fit-grains)* + - analysis scored_orientations_analysis.npz +]]></token> + <token name="@FIT_GRAINS_OUTPUTS_HELP@"><![CDATA[@COMMON_OUTPUTS_HELP@ + - Collection of spots.out +]]></token> + </macros>