annotate MapAlignerTreeGuided.xml @ 5:37d1f970c572 draft default tip

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 5c080b1e2b99f1c88f4557e9fec8c45c9d23b906
author galaxyp
date Fri, 14 Jun 2024 21:36:22 +0000
parents 502c7e321ba5
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1 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.-->
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2 <!--Proposed Tool Section: [Map Alignment]-->
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3 <tool id="MapAlignerTreeGuided" name="MapAlignerTreeGuided" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05">
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4 <description>Tree guided correction of retention time distortions between maps</description>
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5 <macros>
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6 <token name="@EXECUTABLE@">MapAlignerTreeGuided</token>
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7 <import>macros.xml</import>
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8 </macros>
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9 <expand macro="requirements"/>
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10 <expand macro="stdio"/>
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11 <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@
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12 @EXT_FOO@
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13 #import re
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15 ## Preprocessing
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16 mkdir in_cond.in &&
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17 #if $in_cond.in_select == "no"
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18 mkdir ${' '.join(["'in_cond.in/%s'" % (i) for i, f in enumerate($in_cond.in) if f])} &&
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19 ${' '.join(["cp '%s' 'in_cond.in/%s/%s.%s' && " % (f, i, re.sub('[^\w\-_]', '_', f.element_identifier), $gxy2omsext(f.ext)) for i, f in enumerate($in_cond.in) if f])}
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20 #else
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21 cp '$in_cond.in' 'in_cond.in/${re.sub("[^\w\-_]", "_", $in_cond.in.element_identifier)}.$gxy2omsext($in_cond.in.ext)' &&
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22 #end if
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23 #if "out_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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24 mkdir out &&
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25 mkdir ${' '.join(["'out/%s'" % (i) for i, f in enumerate($in_cond.in) if f])} &&
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26 #end if
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27 #if "trafo_out_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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28 mkdir trafo_out &&
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29 mkdir ${' '.join(["'trafo_out/%s'" % (i) for i, f in enumerate($in_cond.in) if f])} &&
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30 #end if
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32 ## Main program call
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33
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34 set -o pipefail &&
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35 @EXECUTABLE@ -write_ctd ./ &&
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36 python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' &&
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37 @EXECUTABLE@ -ini @EXECUTABLE@.ctd
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38 -in
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39 #if $in_cond.in_select == "no"
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40 ${' '.join(["'in_cond.in/%s/%s.%s'"%(i, re.sub('[^\w\-_]', '_', f.element_identifier), $gxy2omsext(f.ext)) for i, f in enumerate($in_cond.in) if f])}
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41 #else
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42 'in_cond.in/${re.sub("[^\w\-_]", "_", $in_cond.in.element_identifier)}.$gxy2omsext($in_cond.in.ext)'
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43 #end if
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44 #if "out_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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45 -out
4
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46 ${' '.join(["'out/%s/%s.%s'"%(i, re.sub('[^\w\-_]', '_', f.element_identifier), $gxy2omsext("featurexml")) for i, f in enumerate($in_cond.in) if f])}
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47 #end if
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48 #if "trafo_out_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
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49 -trafo_out
4
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50 ${' '.join(["'trafo_out/%s/%s.%s'"%(i, re.sub('[^\w\-_]', '_', f.element_identifier), $gxy2omsext("trafoxml")) for i, f in enumerate($in_cond.in) if f])}
0
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51 #end if
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52 #if len(str($OPTIONAL_OUTPUTS).split(',')) == 0
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53 | tee '$stdout'
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54 #end if
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55
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56 ## Postprocessing
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57 #if "out_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
4
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58 ${' '.join(["&& mv -n 'out/%(bn)s/%(id)s.%(gext)s' 'out/%(bn)s/%(id)s'"%{"bn": i, "id": re.sub('[^\w\-_]', '_', f.element_identifier), "gext": $gxy2omsext("featurexml")} for i, f in enumerate($in_cond.in) if f])}
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59 #end if
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60 #if "trafo_out_FLAG" in str($OPTIONAL_OUTPUTS).split(',')
4
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61 ${' '.join(["&& mv -n 'trafo_out/%(bn)s/%(id)s.%(gext)s' 'trafo_out/%(bn)s/%(id)s'"%{"bn": i, "id": re.sub('[^\w\-_]', '_', f.element_identifier), "gext": $gxy2omsext("trafoxml")} for i, f in enumerate($in_cond.in) if f])}
0
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62 #end if
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63 #if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS
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64 && mv '@EXECUTABLE@.ctd' '$ctd_out'
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65 #end if]]></command>
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66 <configfiles>
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67 <inputs name="args_json" data_style="paths"/>
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68 <configfile name="hardcoded_json"><![CDATA[{"copy_data": "false", "log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile>
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69 </configfiles>
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70 <inputs>
4
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71 <conditional name="in_cond">
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72 <param name="in_select" type="select" label="Run tool in batch mode for -in">
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73 <option value="no">No: process all datasets jointly</option>
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74 <option value="yes">Yes: process each dataset in an independent job</option>
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75 </param>
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76 <when value="no">
5
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77 <param argument="-in" type="data" format="featurexml" multiple="true" label="Input files to align (all must have the same file type)" help=" select featurexml data sets(s)"/>
4
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78 </when>
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79 <when value="yes">
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80 <param argument="-in" type="data" format="featurexml" label="Input files to align (all must have the same file type)" help=" select featurexml data sets(s)"/>
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81 </when>
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82 </conditional>
0
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83 <section name="algorithm" title="Algorithm parameters section" help="" expanded="false">
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84 <param name="model_type" argument="-algorithm:model_type" type="select" label="Options to control the modeling of retention time transformations from data" help="">
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85 <option value="linear">linear</option>
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86 <option value="b_spline" selected="true">b_spline</option>
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87 <option value="lowess">lowess</option>
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88 <option value="interpolated">interpolated</option>
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89 <expand macro="list_string_san" name="model_type"/>
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90 </param>
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91 <section name="model" title="" help="" expanded="false">
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92 <param name="type" argument="-algorithm:model:type" type="select" label="Type of model" help="">
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93 <option value="linear">linear</option>
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94 <option value="b_spline" selected="true">b_spline</option>
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95 <option value="lowess">lowess</option>
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96 <option value="interpolated">interpolated</option>
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97 <expand macro="list_string_san" name="type"/>
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98 </param>
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99 <section name="linear" title="Parameters for 'linear' model" help="" expanded="false">
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100 <param name="symmetric_regression" argument="-algorithm:model:linear:symmetric_regression" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Perform linear regression on 'y - x' vs" help="'y + x', instead of on 'y' vs. 'x'"/>
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101 <param name="x_weight" argument="-algorithm:model:linear:x_weight" type="select" label="Weight x values" help="">
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102 <option value="1/x">1/x</option>
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103 <option value="1/x2">1/x2</option>
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104 <option value="ln(x)">ln(x)</option>
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105 <option value="x" selected="true">x</option>
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106 <expand macro="list_string_san" name="x_weight"/>
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107 </param>
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108 <param name="y_weight" argument="-algorithm:model:linear:y_weight" type="select" label="Weight y values" help="">
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109 <option value="1/y">1/y</option>
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110 <option value="1/y2">1/y2</option>
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111 <option value="ln(y)">ln(y)</option>
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112 <option value="y" selected="true">y</option>
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113 <expand macro="list_string_san" name="y_weight"/>
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114 </param>
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115 <param name="x_datum_min" argument="-algorithm:model:linear:x_datum_min" type="float" value="1e-15" label="Minimum x value" help=""/>
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116 <param name="x_datum_max" argument="-algorithm:model:linear:x_datum_max" type="float" value="1000000000000000.0" label="Maximum x value" help=""/>
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117 <param name="y_datum_min" argument="-algorithm:model:linear:y_datum_min" type="float" value="1e-15" label="Minimum y value" help=""/>
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118 <param name="y_datum_max" argument="-algorithm:model:linear:y_datum_max" type="float" value="1000000000000000.0" label="Maximum y value" help=""/>
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119 </section>
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120 <section name="b_spline" title="Parameters for 'b_spline' model" help="" expanded="false">
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121 <param name="wavelength" argument="-algorithm:model:b_spline:wavelength" type="float" min="0.0" value="0.0" label="Determines the amount of smoothing by setting the number of nodes for the B-spline" help="The number is chosen so that the spline approximates a low-pass filter with this cutoff wavelength. The wavelength is given in the same units as the data; a higher value means more smoothing. '0' sets the number of nodes to twice the number of input points"/>
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122 <param name="num_nodes" argument="-algorithm:model:b_spline:num_nodes" type="integer" min="0" value="5" label="Number of nodes for B-spline fitting" help="Overrides 'wavelength' if set (to two or greater). A lower value means more smoothing"/>
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123 <param name="extrapolate" argument="-algorithm:model:b_spline:extrapolate" type="select" label="Method to use for extrapolation beyond the original data range" help="'linear': Linear extrapolation using the slope of the B-spline at the corresponding endpoint. 'b_spline': Use the B-spline (as for interpolation). 'constant': Use the constant value of the B-spline at the corresponding endpoint. 'global_linear': Use a linear fit through the data (which will most probably introduce discontinuities at the ends of the data range)">
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124 <option value="linear" selected="true">linear</option>
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125 <option value="b_spline">b_spline</option>
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126 <option value="constant">constant</option>
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127 <option value="global_linear">global_linear</option>
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128 <expand macro="list_string_san" name="extrapolate"/>
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129 </param>
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130 <param name="boundary_condition" argument="-algorithm:model:b_spline:boundary_condition" type="integer" min="0" max="2" value="2" label="Boundary condition at B-spline endpoints: 0 (value zero), 1 (first derivative zero) or 2 (second derivative zero)" help=""/>
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131 </section>
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132 <section name="lowess" title="Parameters for 'lowess' model" help="" expanded="false">
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133 <param name="span" argument="-algorithm:model:lowess:span" type="float" min="0.0" max="1.0" value="0.666666666666667" label="Fraction of datapoints (f) to use for each local regression (determines the amount of smoothing)" help="Choosing this parameter in the range .2 to .8 usually results in a good fit"/>
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134 <param name="num_iterations" argument="-algorithm:model:lowess:num_iterations" type="integer" min="0" value="3" label="Number of robustifying iterations for lowess fitting" help=""/>
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135 <param name="delta" argument="-algorithm:model:lowess:delta" type="float" value="-1.0" label="Nonnegative parameter which may be used to save computations (recommended value is 0.01 of the range of the input" help="e.g. for data ranging from 1000 seconds to 2000 seconds, it could be set to 10). Setting a negative value will automatically do this"/>
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136 <param name="interpolation_type" argument="-algorithm:model:lowess:interpolation_type" type="select" label="Method to use for interpolation between datapoints computed by lowess" help="'linear': Linear interpolation. 'cspline': Use the cubic spline for interpolation. 'akima': Use an akima spline for interpolation">
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137 <option value="linear">linear</option>
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138 <option value="cspline" selected="true">cspline</option>
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139 <option value="akima">akima</option>
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140 <expand macro="list_string_san" name="interpolation_type"/>
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141 </param>
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142 <param name="extrapolation_type" argument="-algorithm:model:lowess:extrapolation_type" type="select" label="Method to use for extrapolation outside the data range" help="'two-point-linear': Uses a line through the first and last point to extrapolate. 'four-point-linear': Uses a line through the first and second point to extrapolate in front and and a line through the last and second-to-last point in the end. 'global-linear': Uses a linear regression to fit a line through all data points and use it for interpolation">
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143 <option value="two-point-linear">two-point-linear</option>
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144 <option value="four-point-linear" selected="true">four-point-linear</option>
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145 <option value="global-linear">global-linear</option>
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146 <expand macro="list_string_san" name="extrapolation_type"/>
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147 </param>
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148 </section>
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149 <section name="interpolated" title="Parameters for 'interpolated' model" help="" expanded="false">
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150 <param name="interpolation_type" argument="-algorithm:model:interpolated:interpolation_type" type="select" label="Type of interpolation to apply" help="">
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151 <option value="linear">linear</option>
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152 <option value="cspline" selected="true">cspline</option>
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153 <option value="akima">akima</option>
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154 <expand macro="list_string_san" name="interpolation_type"/>
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155 </param>
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156 <param name="extrapolation_type" argument="-algorithm:model:interpolated:extrapolation_type" type="select" label="Type of extrapolation to apply: two-point-linear: use the first and last data point to build a single linear model, four-point-linear: build two linear models on both ends using the first two / last two points, global-linear: use all points to build a single linear model" help="Note that global-linear may not be continuous at the border">
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157 <option value="two-point-linear" selected="true">two-point-linear</option>
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158 <option value="four-point-linear">four-point-linear</option>
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159 <option value="global-linear">global-linear</option>
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160 <expand macro="list_string_san" name="extrapolation_type"/>
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161 </param>
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162 </section>
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163 </section>
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164 <section name="align_algorithm" title="" help="" expanded="false">
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165 <param name="score_type" argument="-algorithm:align_algorithm:score_type" type="text" optional="true" value="" label="Name of the score type to use for ranking and filtering (.oms input only)" help="If left empty, a score type is picked automatically">
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166 <expand macro="list_string_san" name="score_type"/>
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167 </param>
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168 <param name="score_cutoff" argument="-algorithm:align_algorithm:score_cutoff" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Use only IDs above a score cut-off (parameter 'min_score') for alignment?" help=""/>
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169 <param name="min_score" argument="-algorithm:align_algorithm:min_score" type="float" value="0.05" label="If 'score_cutoff' is 'true': Minimum score for an ID to be considered" help="Unless you have very few runs or identifications, increase this value to focus on more informative peptides"/>
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170 <param name="min_run_occur" argument="-algorithm:align_algorithm:min_run_occur" type="integer" min="2" value="2" label="Minimum number of runs (incl" help="reference, if any) in which a peptide must occur to be used for the alignment.. Unless you have very few runs or identifications, increase this value to focus on more informative peptides"/>
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171 <param name="max_rt_shift" argument="-algorithm:align_algorithm:max_rt_shift" type="float" min="0.0" value="0.5" label="Maximum realistic RT difference for a peptide (median per run vs" help="reference). Peptides with higher shifts (outliers) are not used to compute the alignment.. If 0, no limit (disable filter); if &gt; 1, the final value in seconds; if &lt;= 1, taken as a fraction of the range of the reference RT scale"/>
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172 <param name="use_unassigned_peptides" argument="-algorithm:align_algorithm:use_unassigned_peptides" type="boolean" truevalue="true" falsevalue="false" checked="true" label="Should unassigned peptide identifications be used when computing an alignment of feature or consensus maps" help="If 'false', only peptide IDs assigned to features will be used"/>
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173 <param name="use_feature_rt" argument="-algorithm:align_algorithm:use_feature_rt" type="boolean" truevalue="true" falsevalue="false" checked="true" label="When aligning feature or consensus maps, don't use the retention time of a peptide identification directly; instead, use the retention time of the centroid of the feature (apex of the elution profile) that the peptide was matched to" help="If different identifications are matched to one feature, only the peptide closest to the centroid in RT is used.. Precludes 'use_unassigned_peptides'"/>
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174 <param name="use_adducts" argument="-algorithm:align_algorithm:use_adducts" type="boolean" truevalue="true" falsevalue="false" checked="true" label="If IDs contain adducts, treat differently adducted variants of the same molecule as different" help=""/>
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175 </section>
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176 </section>
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177 <expand macro="adv_opts_macro">
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178 <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/>
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179 <param argument="-test" type="hidden" value="False" label="Enables the test mode (needed for internal use only)" help="" optional="true">
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180 <expand macro="list_string_san" name="test"/>
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181 </param>
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182 </expand>
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183 <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs">
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184 <option value="out_FLAG">out (Output files (same file type as 'in'))</option>
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185 <option value="trafo_out_FLAG">trafo_out (Transformation output files)</option>
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186 <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option>
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187 </param>
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188 </inputs>
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189 <outputs>
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190 <collection type="list" name="out" label="${tool.name} on ${on_string}: out">
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191 <discover_datasets directory="out" recurse="true" format="featurexml" pattern="__name__"/>
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192 <filter>OPTIONAL_OUTPUTS is not None and "out_FLAG" in OPTIONAL_OUTPUTS</filter>
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193 </collection>
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194 <collection type="list" name="trafo_out" label="${tool.name} on ${on_string}: trafo_out">
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195 <discover_datasets directory="trafo_out" recurse="true" format="trafoxml" pattern="__name__"/>
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196 <filter>OPTIONAL_OUTPUTS is not None and "trafo_out_FLAG" in OPTIONAL_OUTPUTS</filter>
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197 </collection>
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198 <data name="stdout" format="txt" label="${tool.name} on ${on_string}: stdout">
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199 <filter>OPTIONAL_OUTPUTS is None</filter>
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200 </data>
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201 <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd">
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202 <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
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203 </data>
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204 </outputs>
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205 <tests>
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206 <!-- TOPP_MapAlignerTreeGuided_1 -->
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207 <test expect_num_outputs="2">
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208 <section name="adv_opts">
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209 <param name="force" value="false"/>
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210 <param name="test" value="true"/>
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211 </section>
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212 <conditional name="in_cond">
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213 <param name="in" value="MapAlignerTreeGuided_1_input1.featureXML,MapAlignerTreeGuided_1_input2.featureXML,MapAlignerTreeGuided_1_input3.featureXML"/>
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214 </conditional>
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215 <output_collection name="out" count="3"/>
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216 <section name="algorithm">
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217 <param name="model_type" value="b_spline"/>
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218 <section name="model">
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219 <param name="type" value="b_spline"/>
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220 <section name="linear">
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221 <param name="symmetric_regression" value="false"/>
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222 <param name="x_weight" value="x"/>
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223 <param name="y_weight" value="y"/>
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224 <param name="x_datum_min" value="1e-15"/>
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225 <param name="x_datum_max" value="1000000000000000.0"/>
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226 <param name="y_datum_min" value="1e-15"/>
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227 <param name="y_datum_max" value="1000000000000000.0"/>
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228 </section>
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229 <section name="b_spline">
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230 <param name="wavelength" value="0.0"/>
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231 <param name="num_nodes" value="5"/>
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232 <param name="extrapolate" value="linear"/>
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233 <param name="boundary_condition" value="2"/>
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234 </section>
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235 <section name="lowess">
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236 <param name="span" value="0.666666666666667"/>
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237 <param name="num_iterations" value="3"/>
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238 <param name="delta" value="-1.0"/>
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239 <param name="interpolation_type" value="cspline"/>
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240 <param name="extrapolation_type" value="four-point-linear"/>
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241 </section>
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242 <section name="interpolated">
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243 <param name="interpolation_type" value="cspline"/>
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244 <param name="extrapolation_type" value="two-point-linear"/>
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245 </section>
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246 </section>
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247 <section name="align_algorithm">
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248 <param name="score_type" value=""/>
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249 <param name="score_cutoff" value="false"/>
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250 <param name="min_score" value="0.05"/>
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251 <param name="min_run_occur" value="2"/>
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252 <param name="max_rt_shift" value="0.5"/>
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253 <param name="use_unassigned_peptides" value="true"/>
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254 <param name="use_feature_rt" value="true"/>
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255 <param name="use_adducts" value="true"/>
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256 </section>
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257 </section>
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258 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/>
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259 <output name="ctd_out" ftype="xml">
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260 <assert_contents>
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261 <is_valid_xml/>
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262 </assert_contents>
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263 </output>
5
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264 <assert_stdout>
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265 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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266 </assert_stdout>
4
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267 </test>
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268 <!-- TOPP_MapAlignerTreeGuided_2 -->
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269 <test expect_num_outputs="2">
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270 <section name="adv_opts">
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271 <param name="force" value="false"/>
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272 <param name="test" value="true"/>
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273 </section>
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274 <conditional name="in_cond">
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275 <param name="in" value="MapAlignerTreeGuided_1_input1.featureXML,MapAlignerTreeGuided_1_input2.featureXML,MapAlignerTreeGuided_1_input3.featureXML"/>
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276 </conditional>
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277 <output_collection name="trafo_out" count="3"/>
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278 <section name="algorithm">
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279 <param name="model_type" value="b_spline"/>
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280 <section name="model">
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281 <param name="type" value="b_spline"/>
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282 <section name="linear">
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283 <param name="symmetric_regression" value="false"/>
5
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284 <param name="x_weight" value="x"/>
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285 <param name="y_weight" value="y"/>
4
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286 <param name="x_datum_min" value="1e-15"/>
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287 <param name="x_datum_max" value="1000000000000000.0"/>
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288 <param name="y_datum_min" value="1e-15"/>
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289 <param name="y_datum_max" value="1000000000000000.0"/>
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290 </section>
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291 <section name="b_spline">
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292 <param name="wavelength" value="0.0"/>
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293 <param name="num_nodes" value="5"/>
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294 <param name="extrapolate" value="linear"/>
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295 <param name="boundary_condition" value="2"/>
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296 </section>
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297 <section name="lowess">
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298 <param name="span" value="0.666666666666667"/>
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299 <param name="num_iterations" value="3"/>
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300 <param name="delta" value="-1.0"/>
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301 <param name="interpolation_type" value="cspline"/>
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302 <param name="extrapolation_type" value="four-point-linear"/>
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303 </section>
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304 <section name="interpolated">
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305 <param name="interpolation_type" value="cspline"/>
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306 <param name="extrapolation_type" value="two-point-linear"/>
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307 </section>
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308 </section>
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309 <section name="align_algorithm">
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310 <param name="score_type" value=""/>
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311 <param name="score_cutoff" value="false"/>
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312 <param name="min_score" value="0.05"/>
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313 <param name="min_run_occur" value="2"/>
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314 <param name="max_rt_shift" value="0.5"/>
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315 <param name="use_unassigned_peptides" value="true"/>
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316 <param name="use_feature_rt" value="true"/>
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317 <param name="use_adducts" value="true"/>
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318 </section>
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319 </section>
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320 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,trafo_out_FLAG"/>
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321 <output name="ctd_out" ftype="xml">
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322 <assert_contents>
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323 <is_valid_xml/>
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324 </assert_contents>
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325 </output>
5
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326 <assert_stdout>
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327 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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328 </assert_stdout>
4
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329 </test>
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330 <!-- TOPP_MapAlignerTreeGuided_3 -->
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331 <test expect_num_outputs="2">
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332 <section name="adv_opts">
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333 <param name="force" value="false"/>
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334 <param name="test" value="true"/>
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335 </section>
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336 <conditional name="in_cond">
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337 <param name="in" value="MapAlignerTreeGuided_1_input1.featureXML,MapAlignerTreeGuided_1_input2.featureXML,MapAlignerTreeGuided_1_input3.featureXML"/>
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338 </conditional>
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339 <output_collection name="out" count="3"/>
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340 <section name="algorithm">
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341 <param name="model_type" value="b_spline"/>
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342 <section name="model">
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343 <param name="type" value="b_spline"/>
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344 <section name="linear">
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345 <param name="symmetric_regression" value="false"/>
5
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346 <param name="x_weight" value="x"/>
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347 <param name="y_weight" value="y"/>
4
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348 <param name="x_datum_min" value="1e-15"/>
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349 <param name="x_datum_max" value="1000000000000000.0"/>
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350 <param name="y_datum_min" value="1e-15"/>
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351 <param name="y_datum_max" value="1000000000000000.0"/>
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352 </section>
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353 <section name="b_spline">
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354 <param name="wavelength" value="0.0"/>
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355 <param name="num_nodes" value="5"/>
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356 <param name="extrapolate" value="linear"/>
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357 <param name="boundary_condition" value="2"/>
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358 </section>
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359 <section name="lowess">
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360 <param name="span" value="0.666666666666667"/>
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361 <param name="num_iterations" value="3"/>
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362 <param name="delta" value="-1.0"/>
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363 <param name="interpolation_type" value="cspline"/>
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364 <param name="extrapolation_type" value="four-point-linear"/>
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365 </section>
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366 <section name="interpolated">
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367 <param name="interpolation_type" value="cspline"/>
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368 <param name="extrapolation_type" value="two-point-linear"/>
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369 </section>
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370 </section>
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371 <section name="align_algorithm">
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372 <param name="score_type" value=""/>
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373 <param name="score_cutoff" value="false"/>
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374 <param name="min_score" value="0.05"/>
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375 <param name="min_run_occur" value="2"/>
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376 <param name="max_rt_shift" value="0.5"/>
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377 <param name="use_unassigned_peptides" value="true"/>
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378 <param name="use_feature_rt" value="true"/>
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379 <param name="use_adducts" value="true"/>
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380 </section>
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381 </section>
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382 <param name="OPTIONAL_OUTPUTS" value="ctd_out_FLAG,out_FLAG"/>
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383 <output name="ctd_out" ftype="xml">
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384 <assert_contents>
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385 <is_valid_xml/>
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386 </assert_contents>
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387 </output>
5
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388 <assert_stdout>
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389 <has_text_matching expression="@EXECUTABLE@ took .* \(wall\), .* \(CPU\), .* \(system\), .* \(user\)(; Peak Memory Usage: 32 MB)?."/>
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390 </assert_stdout>
4
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391 </test>
0
759648882c3c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 020906fb54bde7fc143c356f41975c378a741315"
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392 </tests>
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393 <help><![CDATA[Tree guided correction of retention time distortions between maps.
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394
759648882c3c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 020906fb54bde7fc143c356f41975c378a741315"
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395
5
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396 For more information, visit https://openms.de/doxygen/release/3.1.0/html/TOPP_MapAlignerTreeGuided.html]]></help>
0
759648882c3c "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 020906fb54bde7fc143c356f41975c378a741315"
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397 <expand macro="references"/>
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398 </tool>