Mercurial > repos > ximgchess > hedm_lattice_parameter_correction

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"planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit a8f7424061c14ed403820ebddcda94a38006c699"
author ximgchess
date Thu, 19 May 2022 17:38:53 +0000
parents 59453ad6e219
children
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59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
ximgchess
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1 <macros>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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2 <token name="@TOOL_VERSION@">0.8.19</token>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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3 <token name="@VERSION_SUFFIX@">0</token>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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4 <token name="@PROFILE@">21.09</token>
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5 <xml name="requirements">
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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6 <requirements>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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7 <requirement type="package" version="@TOOL_VERSION@">hexrd</requirement>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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8 <yield/>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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9 </requirements>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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10 </xml>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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11 <xml name="citations">
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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12 <citations>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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13 <citation type="doi">10.1016/j.matchar.2020.110366</citation>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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14 <yield />
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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15 </citations>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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16 </xml>
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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17
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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18 <token name="@CMD_IMPORTS@">
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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19 #import re
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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20 #import yaml
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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21 #def identifier_or_name($input1)
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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22 #if hasattr($input1, 'element_identifier')
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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23 #return $input1.element_identifier
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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24 #elif hasattr($input1, 'name')
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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25 #return $input1.name
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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26 #else
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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27 #return str($input1)
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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28 #end if
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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29 #end def
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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30 #def clean($name1)
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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31 #set $name_clean = $re.sub('[^\w\-_]', '_', $re.sub('(?i)[.](npz|hexrd|yml|dat|out)$','', $name1.split()[-1]))
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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32 #return $name_clean
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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33 #end def
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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34 #def ln_name($ds,$ext)
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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35 #set $lname = "%s.%s" % ($clean($identifier_or_name($ds)),$ext)
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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36 #return $lname
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37 #end def
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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38 #def update_config($cfg_in, $mat_path, $inst_path)
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39 #set $cfg = $yaml.safe_load(open(str($cfg_in),'r'))
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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40 #if $mat_path and 'material' in $cfg and 'definitions' in $cfg['material']
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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41 #silent $cfg['material']['definitions'] = str($mat_path)
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42 #end if
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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43 #if $inst_path and 'instrument' in $cfg
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44 #silent $cfg['instrument'] = str($inst_path)
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45 #end if
59453ad6e219 "planemo upload for repository https://github.com/ximg-chess/galaxytools/tools/hedm_lattice_parameter_correction commit 420bbed5449757711b88200208bb050e0797f5a3"
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46 #slurp
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47 $yaml.dump($cfg)
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48 #end def
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49 </token>
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50 </macros>