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Also used pdb with corrected secondary structure in KNIME example and test workflow. To run test workflow successfully enable ui harness. Fixes #14
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Do not delete this file! | ||
This file serves to indicate that the workflow was written as part of the usual save routine (not exported). | ||
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Workflow was last saved by user verhoes on Fri Nov 25 13:30:08 CET 2016 | ||
Workflow was last saved by user verhoes on Fri Dec 02 17:48:25 CET 2016 |
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76 changes: 76 additions & 0 deletions
76
tests/src/knime/molviewer-test/Ligands and Proteins Viewer (#27)/settings.xml
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<?xml version="1.0" encoding="UTF-8"?> | ||
<config xmlns="http://www.knime.org/2008/09/XMLConfig" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.knime.org/2008/09/XMLConfig http://www.knime.org/XMLConfig_2008_09.xsd" key="settings.xml"> | ||
<entry key="node_file" type="xstring" value="settings.xml"/> | ||
<config key="flow_stack"/> | ||
<config key="internal_node_subsettings"> | ||
<entry key="memory_policy" type="xstring" value="CacheSmallInMemory"/> | ||
</config> | ||
<config key="model"> | ||
<config key="ligandColumn_Internals"> | ||
<entry key="SettingsModelID" type="xstring" value="SMID_string"/> | ||
<entry key="EnabledStatus" type="xboolean" value="true"/> | ||
</config> | ||
<entry key="ligandColumn" type="xstring" value="Molecule"/> | ||
<config key="ligandLabelColumn_Internals"> | ||
<entry key="SettingsModelID" type="xstring" value="SMID_string"/> | ||
<entry key="EnabledStatus" type="xboolean" value="true"/> | ||
</config> | ||
<config key="ligandLabelColumn"> | ||
<entry key="useRowID" type="xboolean" value="true"/> | ||
<entry key="columnName" type="xstring" isnull="true" value=""/> | ||
</config> | ||
<config key="proteinColumn_Internals"> | ||
<entry key="SettingsModelID" type="xstring" value="SMID_string"/> | ||
<entry key="EnabledStatus" type="xboolean" value="true"/> | ||
</config> | ||
<entry key="proteinColumn" type="xstring" value="Molecule"/> | ||
<config key="proteinLabelColumn_Internals"> | ||
<entry key="SettingsModelID" type="xstring" value="SMID_string"/> | ||
<entry key="EnabledStatus" type="xboolean" value="true"/> | ||
</config> | ||
<config key="proteinLabelColumn"> | ||
<entry key="useRowID" type="xboolean" value="true"/> | ||
<entry key="columnName" type="xstring" isnull="true" value=""/> | ||
</config> | ||
<config key="browserAutoOpen_Internals"> | ||
<entry key="SettingsModelID" type="xstring" value="SMID_boolean"/> | ||
<entry key="EnabledStatus" type="xboolean" value="true"/> | ||
</config> | ||
<entry key="browserAutoOpen" type="xboolean" value="false"/> | ||
</config> | ||
<config key="nodeAnnotation"> | ||
<entry key="text" type="xstring" value="Test mol2 ligands %%00010and mol2 proteins"/> | ||
<entry key="bgcolor" type="xint" value="16777215"/> | ||
<entry key="x-coordinate" type="xint" value="483"/> | ||
<entry key="y-coordinate" type="xint" value="499"/> | ||
<entry key="width" type="xint" value="115"/> | ||
<entry key="height" type="xint" value="32"/> | ||
<entry key="alignment" type="xstring" value="CENTER"/> | ||
<entry key="borderSize" type="xint" value="0"/> | ||
<entry key="borderColor" type="xint" value="16777215"/> | ||
<entry key="defFontSize" type="xint" value="9"/> | ||
<entry key="annotation-version" type="xint" value="20151123"/> | ||
<config key="styles"/> | ||
</config> | ||
<entry key="customDescription" type="xstring" isnull="true" value=""/> | ||
<entry key="state" type="xstring" value="CONFIGURED"/> | ||
<entry key="factory" type="xstring" value="nl.esciencecenter.e3dchem.knime.molviewer.ligandsandproteins.LigandsAndProteinsViewerFactory"/> | ||
<entry key="node-name" type="xstring" value="Ligands and Proteins Viewer"/> | ||
<entry key="node-bundle-name" type="xstring" value="MolViewer Nodes"/> | ||
<entry key="node-bundle-symbolic-name" type="xstring" value="nl.esciencecenter.e3dchem.knime.molviewer.plugin"/> | ||
<entry key="node-bundle-vendor" type="xstring" value="Netherlands eScience Center"/> | ||
<entry key="node-bundle-version" type="xstring" value="0.1.12"/> | ||
<entry key="node-feature-name" type="xstring" value="MolViewer nodes for KNIME"/> | ||
<entry key="node-feature-symbolic-name" type="xstring" value="nl.esciencecenter.e3dchem.knime.molviewer.feature.feature.group"/> | ||
<entry key="node-feature-vendor" type="xstring" value="Netherlands eScience Center"/> | ||
<entry key="node-feature-version" type="xstring" value="0.1.12"/> | ||
<config key="factory_settings"/> | ||
<entry key="name" type="xstring" value="Ligands and Proteins Viewer"/> | ||
<entry key="hasContent" type="xboolean" value="false"/> | ||
<entry key="isInactive" type="xboolean" value="false"/> | ||
<config key="ports"/> | ||
<config key="filestores"> | ||
<entry key="file_store_location" type="xstring" isnull="true" value=""/> | ||
<entry key="file_store_id" type="xstring" isnull="true" value=""/> | ||
</config> | ||
</config> |
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42 changes: 21 additions & 21 deletions
42
tests/src/knime/molviewer-test/PDB Loader (#12)/port_1/data.xml
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@@ -1,22 +1,22 @@ | ||
<?xml version="1.0" encoding="UTF-8"?> | ||
<config xmlns="http://www.knime.org/2008/09/XMLConfig" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.knime.org/2008/09/XMLConfig http://www.knime.org/XMLConfig_2008_09.xsd" key="table_meta_info"> | ||
<entry key="table_ID" type="xint" value="29"/> | ||
<entry key="table_type" type="xstring" value="rearrange_columns_table"/> | ||
<config key="table_references"> | ||
<entry key="array-size" type="xint" value="0"/> | ||
</config> | ||
<config key="meta_internal"> | ||
<entry key="table_reference_ID" type="xint" value="28"/> | ||
<config key="table_internal_map"> | ||
<entry key="array-size" type="xint" value="2"/> | ||
<entry key="0" type="xint" value="0"/> | ||
<entry key="1" type="xint" value="0"/> | ||
</config> | ||
<config key="table_internal_flags"> | ||
<entry key="array-size" type="xint" value="2"/> | ||
<entry key="0" type="xboolean" value="true"/> | ||
<entry key="1" type="xboolean" value="false"/> | ||
</config> | ||
</config> | ||
<entry key="table_file_name" type="xstring" value="data.zip"/> | ||
</config> | ||
<config xmlns="http://www.knime.org/2008/09/XMLConfig" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.knime.org/2008/09/XMLConfig http://www.knime.org/XMLConfig_2008_09.xsd" key="table_meta_info"> | ||
<entry key="table_ID" type="xint" value="84"/> | ||
<entry key="table_type" type="xstring" value="rearrange_columns_table"/> | ||
<config key="table_references"> | ||
<entry key="array-size" type="xint" value="0"/> | ||
</config> | ||
<config key="meta_internal"> | ||
<entry key="table_reference_ID" type="xint" value="80"/> | ||
<config key="table_internal_map"> | ||
<entry key="array-size" type="xint" value="2"/> | ||
<entry key="0" type="xint" value="0"/> | ||
<entry key="1" type="xint" value="0"/> | ||
</config> | ||
<config key="table_internal_flags"> | ||
<entry key="array-size" type="xint" value="2"/> | ||
<entry key="0" type="xboolean" value="true"/> | ||
<entry key="1" type="xboolean" value="false"/> | ||
</config> | ||
</config> | ||
<entry key="table_file_name" type="xstring" value="data.zip"/> | ||
</config> |
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tests/src/knime/molviewer-test/PDB Loader (#12)/port_1/data.zip
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72 changes: 36 additions & 36 deletions
72
tests/src/knime/molviewer-test/PDB Loader (#12)/port_1/spec.xml
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@@ -1,37 +1,37 @@ | ||
<?xml version="1.0" encoding="UTF-8"?> | ||
<config xmlns="http://www.knime.org/2008/09/XMLConfig" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.knime.org/2008/09/XMLConfig http://www.knime.org/XMLConfig_2008_09.xsd" key="spec.xml"> | ||
<entry key="spec_name" type="xstring" value="default"/> | ||
<entry key="number_columns" type="xint" value="2"/> | ||
<config key="column_spec_0"> | ||
<entry key="column_name" type="xstring" value="filename"/> | ||
<config key="element_names"> | ||
<entry key="array-size" type="xint" value="0"/> | ||
</config> | ||
<config key="column_type"> | ||
<entry key="cell_class" type="xstring" value="org.knime.core.data.def.StringCell"/> | ||
</config> | ||
<config key="column_domain"> | ||
<config key="possible_values"> | ||
<entry key="array-size" type="xint" value="1"/> | ||
<config key="0"> | ||
<entry key="datacell" type="xstring" value="org.knime.core.data.def.StringCell"/> | ||
<config key="org.knime.core.data.def.StringCell"> | ||
<entry key="StringCell" type="xstring" value="file:/D:/data/3d-e-chem/molviewer/protein.pdb"/> | ||
</config> | ||
</config> | ||
</config> | ||
</config> | ||
<config key="column_properties"/> | ||
</config> | ||
<config key="column_spec_1"> | ||
<entry key="column_name" type="xstring" value="PDB File"/> | ||
<config key="element_names"> | ||
<entry key="array-size" type="xint" value="0"/> | ||
</config> | ||
<config key="column_type"> | ||
<entry key="cell_class" type="xstring" value="org.knime.bio.types.PdbCell"/> | ||
</config> | ||
<config key="column_domain"/> | ||
<config key="column_properties"/> | ||
</config> | ||
</config> | ||
<config xmlns="http://www.knime.org/2008/09/XMLConfig" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.knime.org/2008/09/XMLConfig http://www.knime.org/XMLConfig_2008_09.xsd" key="spec.xml"> | ||
<entry key="spec_name" type="xstring" value="default"/> | ||
<entry key="number_columns" type="xint" value="2"/> | ||
<config key="column_spec_0"> | ||
<entry key="column_name" type="xstring" value="filename"/> | ||
<config key="element_names"> | ||
<entry key="array-size" type="xint" value="0"/> | ||
</config> | ||
<config key="column_type"> | ||
<entry key="cell_class" type="xstring" value="org.knime.core.data.def.StringCell"/> | ||
</config> | ||
<config key="column_domain"> | ||
<config key="possible_values"> | ||
<entry key="array-size" type="xint" value="1"/> | ||
<config key="0"> | ||
<entry key="datacell" type="xstring" value="org.knime.core.data.def.StringCell"/> | ||
<config key="org.knime.core.data.def.StringCell"> | ||
<entry key="StringCell" type="xstring" value="file:/tmp/protein.pdb"/> | ||
</config> | ||
</config> | ||
</config> | ||
</config> | ||
<config key="column_properties"/> | ||
</config> | ||
<config key="column_spec_1"> | ||
<entry key="column_name" type="xstring" value="PDB File"/> | ||
<config key="element_names"> | ||
<entry key="array-size" type="xint" value="0"/> | ||
</config> | ||
<config key="column_type"> | ||
<entry key="cell_class" type="xstring" value="org.knime.bio.types.PdbCell"/> | ||
</config> | ||
<config key="column_domain"/> | ||
<config key="column_properties"/> | ||
</config> | ||
</config> |
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