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7 changes: 7 additions & 0 deletions proteosafe/msql-network-query-nf/Makefile
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-include ../Makefile.credentials
include ../Makefile.deploytemplate

WORKFLOW_NAME=msql-nf
TOOL_FOLDER_NAME=msql-nf
WORKFLOW_VERSION=release_30
WORKFLOW_DESCRIPTION="MassQL Query Workflow - <a href='https://mwang87.github.io/MassQueryLanguage_Documentation/'>Documentation Link</a>. Currently Supports v1.0 of MassQL"
40 changes: 40 additions & 0 deletions proteosafe/msql-network-query-nf/msql-nf/binding.xml
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<?xml version="1.0" encoding="ISO-8859-1" ?>
<binding>
<bind action="begin" type="download">
<url value="{livesearch.download}"/>
<query name="task" valueRef="@task" />
<query name="user" valueRef="@user"/>
<compression type="zip" />
<download port="flowParams" type="file">
<query name="resource" value="params"/>
</download>
<downloadParams>
<query name="resource" value="params"/>
</downloadParams>
<download port="inputspectra" type="folder">
<query name="resource" value="inputspectra"/>
</download>
</bind>

<bind action="demangle_spectra" tool="demangle_spectra">
<inputAsRequirement port="inputspectra" requirement="inputspectra"/>
<inputAsRequirement port="workflowParameters" requirement="workflowParameters"/>
<productionToOutput port="demangled_spectra" production="demangled_spectra"/>
</bind>

<bind action="msql_nf_process" tool="msql_nf_process">
<inputAsRequirement port="demangled_spectra" requirement="demangled_spectra"/>
<inputAsRequirement port="workflowParameters" requirement="workflowParameters"/>
<productionToOutput port="query_results" production="query_results"/>
</bind>

<bind action="end" type="upload">
<url value="{livesearch.upload}"/>
<query name="task" valueRef="@task"/>
<contentQuery name="content"/>
<compression type="zip"/>
<upload port="query_results" type="folder">
<query name="resource" value="query_results"/>
</upload>
</bind>
</binding>
28 changes: 28 additions & 0 deletions proteosafe/msql-network-query-nf/msql-nf/flow.xml
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<?xml version="1.0" encoding="ISO-8859-1" ?>
<flow name="msql">
<object name="workflowParameters"/>
<collection name="inputspectra"/>

<action name="begin">
<output port="flowParams" object="workflowParameters"/>
<output port="inputspectra" collection="inputspectra"/>
</action>

<collection name="demangled_spectra"/>
<action name="demangle_spectra">
<input port="inputspectra" collection="inputspectra"/>
<input port="workflowParameters" object="workflowParameters"/>
<output port="demangled_spectra" collection="demangled_spectra"/>
</action>

<collection name="query_results"/>
<action name="msql_nf_process">
<input port="demangled_spectra" collection="demangled_spectra"/>
<input port="workflowParameters" object="workflowParameters"/>
<output port="query_results" collection="query_results"/>
</action>

<action name="end">
<input port="query_results" collection="query_results"/>
</action>
</flow>
138 changes: 138 additions & 0 deletions proteosafe/msql-network-query-nf/msql-nf/input.xml
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<?xml version="1.0" encoding="ISO-8859-1" ?>
<interface id="msql" version="1.2.8">
<workflow-id>MSQL-NF</workflow-id>
<workflow-label>MSQL-NF</workflow-label>

<!-- Parameter declarations -->
<parameters>
<!-- Universal parameters -->
<parameter name="desc" label="Description">
<validator type="length" maximum="1000"/>
</parameter>
<parameter name="email" label="Email">
<validator type="email"/>
</parameter>

<parameter name="spec_on_server" label="Spectrum Files (Required)">
<validator type="required"/>
<fileGenerator type="upload" purpose="spectrum" target="inputspectra"/>
</parameter>

<parameter name="QUERY" label="Enter QUERY (Required)">
<default value="QUERY scaninfo(MS2DATA)"/>
</parameter>

<parameter name="PARALLELFILES" label="Parallelize Across All Files">
<options>
<option value="YES" label="YES"/>
<option value="NO" label="NO"/>
</options>
<validator type="set"/>
<default value="YES"/>
</parameter>

<parameter name="PARALLELPERFILE" label="Parallelize within a single File">
<options>
<option value="NO" label="NO"/>
</options>
<validator type="set"/>
<default value="NO"/>
</parameter>

<parameter name="EXTRACT" label="Extract Found MS Spectra">
<options>
<option value="YES" label="YES"/>
<option value="NO" label="NO"/>
</options>
<validator type="set"/>
<default value="NO"/>
</parameter>

<parameter name="CLUSTERPARALLEL" label="Parallelize Run Across the Cluster (this is an admin thing)">
<options>
<option value="NO" label="NO"/>
<option value="YES" label="YES"/>
</options>
<validator type="set"/>
<default value="NO"/>
</parameter>
</parameters>

<block label="Setting">
<row>
<cell>
<label>
<content parameter="QUERY"/>
</label>
</cell>
<cell>
<input parameter="QUERY" type="textarea">
<attribute name="rows" value="8"/>
<attribute name="cols" value="80"/>
</input>
</cell>
</row>
<row>
<cell>
<label>
<content parameter="spec_on_server"/>
</label>
</cell>
<cell colspan="3">
<module id="spec_on_server" type="fileSelector">
<property name="label">Spectrum Files</property>
</module>
</cell>
</row>
<row>
<cell>
<label>
<content parameter="PARALLELPERFILE"/>
</label>
</cell>

<cell>
<input type="select" parameter="PARALLELPERFILE">
</input>
</cell>
</row>
<row>
<cell>
<label>
<content parameter="PARALLELFILES"/>
</label>
</cell>

<cell>
<input type="select" parameter="PARALLELFILES">
</input>
</cell>
</row>
<row>
<cell>
<label>
<content parameter="EXTRACT"/>
</label>
</cell>

<cell>
<input type="select" parameter="EXTRACT">
</input>
</cell>
</row>
<row>
<cell>
<label>
<content parameter="CLUSTERPARALLEL"/>
</label>
</cell>

<cell>
<input type="select" parameter="CLUSTERPARALLEL">
</input>
</cell>
</row>
</block>


</interface>
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