tweaks for enumerate_charges and sanifier_enumerator cells

Author: tdudgeon

src/python/pipelines/dimorphite/enumerate_charges.dsd.yml

@@ -75,7 +75,7 @@ outputRoutes:
 - route: FILE
 imageName: informaticsmatters/rdkit_pipelines
 command: >-
-  python -m pipelines.dimorphite.enumerate_charges -i ${PIN}input.data.gz -if json -o ${POUT}output -of json
+  python -m pipelines.dimorphite.enumerate_charges -i ${PIN}input.data.gz -if json -o ${POUT}output -of json --meta
   ${binding.variables.containsKey('min_ph') ? ' --min-ph ' + min_ph : ''}
   ${binding.variables.containsKey('max_ph') ? ' --max-ph ' + max_ph : ''}
   ${binding.variables.containsKey('fragment_method') ? ' --fragment-method ' + fragment_method : ''}

src/python/pipelines/rdkit/sanifier_enumerator.dsd.yml

@@ -27,25 +27,6 @@ serviceConfig:
     mediaType: application/x-squonk-dataset-molecule+json
     name: output
   optionDescriptors:
-  - modes:
-    - User
-    editable: true
-    "@class": org.squonk.options.OptionDescriptor
-    typeDescriptor:
-      type: java.lang.String
-      "@class": org.squonk.options.SimpleTypeDescriptor
-    key: dockerImageVersion
-    label: RDKit version
-    description: Version of the RDKit Docker image to execute
-    values:
-    - latest
-    - Release_2017_03_1
-    - Release_2016_09_2
-    - Release_2016_03_1
-    - Release_2015_09_2
-    - Release_2015_09_1
-    defaultValue: latest
-    visible: true
   - modes:
     - User
     editable: true
@@ -99,5 +80,5 @@ imageName: informaticsmatters/rdkit_pipelines
 command: >-
   python -m pipelines.rdkit.sanifier -i ${PIN}input.data.gz -if json -o ${POUT}output -of json -mf $molFormat
   ${tautomers ? '-et' : ''}
-  ${stereoisomers ? '-es'' : ''}
+  ${stereoisomers ? '-es' : ''}
   --meta