adding @Class to service descriptors

tdudgeon · tdudgeon · commit 809e74472e0c · 2018-07-13T16:01:12.000+01:00
diff --git a/post-service-descriptors.sh b/post-service-descriptors.sh
@@ -1,4 +1,6 @@
 #!/usr/bin/env bash
+# run locally with something like this:
+# ./post-service-descriptors.sh http://localhost:8091/coreservices/rest/v1/services
 
 set -e
 
diff --git a/src/nextflow/docking/plip.nsd.yml b/src/nextflow/docking/plip.nsd.yml
@@ -1,4 +1,5 @@
 ---
+!<org.squonk.core.NextflowServiceDescriptor>
 serviceConfig:
   id: "pipelines.pli.v1"
   "name": "PLI docking scoring"
diff --git a/src/nextflow/docking/rdock.nsd.yml b/src/nextflow/docking/rdock.nsd.yml
@@ -1,4 +1,5 @@
 ---
+!<org.squonk.core.NextflowServiceDescriptor>
 serviceConfig:
   id: "pipelines.docking.rdock.basic.v2"
   "name": "rDock docking"
diff --git a/src/nextflow/docking/smog.nsd.yml b/src/nextflow/docking/smog.nsd.yml
@@ -1,4 +1,5 @@
 ---
+!<org.squonk.core.NextflowServiceDescriptor>
 serviceConfig:
   id: "pipelines.docking.smog2016.v1"
   "name": "SMoG2016 docking scoring"
diff --git a/src/nextflow/rdkit/screen-dataset.nsd.yml b/src/nextflow/rdkit/screen-dataset.nsd.yml
@@ -1,4 +1,5 @@
 ---
+!<org.squonk.core.NextflowServiceDescriptor>
 serviceConfig:
   id: "pipelines.rdkit.screen.basic"
   name: "RDKitSimilarityScreening"
diff --git a/src/nextflow/rdkit/screen-multi-dataset.nsd.yml b/src/nextflow/rdkit/screen-multi-dataset.nsd.yml
@@ -1,4 +1,5 @@
 ---
+!<org.squonk.core.NextflowServiceDescriptor>
 serviceConfig:
   id: "pipelines.rdkit.screen.multi"
   name: "RDKitMultiSimilarityScreening"
diff --git a/src/python/pipelines/dmpk/pk_tmax_cmax_sim.dsd.json b/src/python/pipelines/dmpk/pk_tmax_cmax_sim.dsd.json
@@ -1,4 +1,4 @@
-{
+{ "@class":"org.squonk.core.DockerServiceDescriptor",
   "serviceConfig": {
     "id": "pipelines.dmpk.sygnature.tmax_cmax_sim.1",
     "name": "TmaxCmaxSimulation",
diff --git a/src/python/pipelines/docking/obabel_prepare_pdb.dsd.json b/src/python/pipelines/docking/obabel_prepare_pdb.dsd.json
@@ -1,4 +1,5 @@
-{ "serviceConfig": {
+{ "@class":"org.squonk.core.DockerServiceDescriptor",
+  "serviceConfig": {
   "id": "pipelines.xchem.obabel.prepare.pdb.v1",
   "name": "OBabelPreparePDB",
   "description": "Prepare PDB file uisng Open Babel",
diff --git a/src/python/pipelines/rdkit/cluster_butina.dsd.json b/src/python/pipelines/rdkit/cluster_butina.dsd.json
@@ -1,4 +1,5 @@
 {
+  "@class":"org.squonk.core.DockerServiceDescriptor",
   "serviceConfig": {
     "id": "pipelines.rdkit.cluster.butina",
     "name": "RDKitButinaClustering",
diff --git a/src/python/pipelines/rdkit/cluster_butina_diverse_subset_picker.dsd.json b/src/python/pipelines/rdkit/cluster_butina_diverse_subset_picker.dsd.json
@@ -1,4 +1,5 @@
 {
+  "@class":"org.squonk.core.DockerServiceDescriptor",
   "serviceConfig": {
     "id": "pipelines.rdkit.cluster.subsetpicker.simple",
     "name": "RDKitDiverseSubsetPicker",
diff --git a/src/python/pipelines/rdkit/cluster_butina_matrix.dsd.json b/src/python/pipelines/rdkit/cluster_butina_matrix.dsd.json
@@ -1,4 +1,5 @@
 {
+  "@class":"org.squonk.core.DockerServiceDescriptor",
   "serviceConfig": {
     "id": "pipelines.rdkit.cluster.butina.matrix.v1",
     "name": "RDKitClusterMatrix",
diff --git a/src/python/pipelines/rdkit/conformers.dsd.json b/src/python/pipelines/rdkit/conformers.dsd.json
@@ -1,4 +1,5 @@
 {
+  "@class":"org.squonk.core.DockerServiceDescriptor",
   "serviceConfig": {
     "id": "pipelines.rdkit.conformer.basic",
     "name": "RDKitConformers",
diff --git a/src/python/pipelines/rdkit/constrained_conf_gen.dsd.json b/src/python/pipelines/rdkit/constrained_conf_gen.dsd.json
@@ -1,4 +1,5 @@
 {
+  "@class":"org.squonk.core.DockerServiceDescriptor",
   "serviceConfig": {
     "id": "pipelines.rdkit.conformer.constrained",
     "name": "RDKitConstrainedConformers",
diff --git a/src/python/pipelines/rdkit/max_min_picker_enrich.dsd.json b/src/python/pipelines/rdkit/max_min_picker_enrich.dsd.json
@@ -1,4 +1,6 @@
-{ "serviceConfig": {
+{
+  "@class":"org.squonk.core.DockerServiceDescriptor",
+  "serviceConfig": {
   "id": "pipelines.rdkit.maxminpicker.enrich.1",
   "name": "RDKitMaxMinPickerEnrich",
   "description": "RDKit MaxMin picker for enriching a dataset with a diverse selection",
diff --git a/src/python/pipelines/rdkit/max_min_picker_simple.dsd.json b/src/python/pipelines/rdkit/max_min_picker_simple.dsd.json
@@ -1,4 +1,5 @@
-{ "serviceConfig": {
+{ "@class":"org.squonk.core.DockerServiceDescriptor",
+  "serviceConfig": {
   "id": "pipelines.rdkit.maxminpicker.simple.1",
   "name": "RDKitMaxMinPickerSimple",
   "description": "RDKit MaxMin picker for diverse subset selection",
diff --git a/src/python/pipelines/rdkit/o3dAlign.dsd.json b/src/python/pipelines/rdkit/o3dAlign.dsd.json
@@ -1,4 +1,5 @@
 {
+  "@class":"org.squonk.core.DockerServiceDescriptor",
   "serviceConfig": {
     "id": "pipelines.rdkit.o3da.basic",
     "name": "RDKitOpen3DAlign",
diff --git a/src/python/pipelines/rdkit/pbf_ev.dsd.json b/src/python/pipelines/rdkit/pbf_ev.dsd.json
@@ -1,4 +1,6 @@
-{ "serviceConfig": {
+{
+  "@class":"org.squonk.core.DockerServiceDescriptor",
+  "serviceConfig": {
   "id": "pipelines.xchem.pbf_ev.v1",
   "name": "PBF EV analyisis",
   "description": "PBF EV analysis ",
diff --git a/src/python/pipelines/rdkit/rxn_maker.dsd.json b/src/python/pipelines/rdkit/rxn_maker.dsd.json
@@ -1,4 +1,5 @@
 {
+  "@class":"org.squonk.core.DockerServiceDescriptor",
   "serviceConfig": {
     "id": "pipelines.xchem.reaction.maker.v1",
     "name": "XChemReactionMaker",
diff --git a/src/python/pipelines/rdkit/rxn_smarts_filter.dsd.json b/src/python/pipelines/rdkit/rxn_smarts_filter.dsd.json
@@ -1,4 +1,6 @@
-{ "serviceConfig": {
+{
+  "@class":"org.squonk.core.DockerServiceDescriptor",
+  "serviceConfig": {
   "id": "pipelines.xchem.smarts_filter.reaction",
   "name": "XChemReactionSmartsFilter",
   "description": "XChem Reaction Smarts Filter",
diff --git a/src/python/pipelines/rdkit/sanifier_enumerator.dsd.json b/src/python/pipelines/rdkit/sanifier_enumerator.dsd.json
@@ -1,4 +1,6 @@
-{ "serviceConfig": {
+{
+  "@class":"org.squonk.core.DockerServiceDescriptor",
+  "serviceConfig": {
   "id": "pipelines.xchem.sanify.enumerate.v1",
   "name": "MoleculeEnumerator",
   "description": "Enumerate stereoisomers and tautomers",
diff --git a/src/python/pipelines/rdkit/sanifier_standardiser_flatkinson.dsd.json b/src/python/pipelines/rdkit/sanifier_standardiser_flatkinson.dsd.json
@@ -1,4 +1,6 @@
-{ "serviceConfig": {
+{
+  "@class":"org.squonk.core.DockerServiceDescriptor",
+  "serviceConfig": {
   "id": "pipelines.xchem.sanify.standardise.flatkinson.v1",
   "name": "FlatkinsonStandardiser",
   "description": "Molecule standardiser from Francis Atkinson",
diff --git a/src/python/pipelines/rdkit/sanifier_standardiser_molvs.dsd.json b/src/python/pipelines/rdkit/sanifier_standardiser_molvs.dsd.json
@@ -1,4 +1,6 @@
-{ "serviceConfig": {
+{
+  "@class":"org.squonk.core.DockerServiceDescriptor",
+  "serviceConfig": {
   "id": "pipelines.xchem.sanify.standardise.molvs.v1",
   "name": "MolVSStandardiser",
   "description": "Molecule standardiser using MolVS",

Original file line number	Diff line number	Diff line change
`@@ -1,4 +1,5 @@`
`1`	`1`	`---`
	`2`	`+!<org.squonk.core.NextflowServiceDescriptor>`
`2`	`3`	`serviceConfig:`
`3`	`4`	`id: "pipelines.pli.v1"`
`4`	`5`	`"name": "PLI docking scoring"`
Original file line number	Diff line number	Diff line change
`@@ -1,4 +1,4 @@`
`1`		`-{`
	`1`	`+{ "@class":"org.squonk.core.DockerServiceDescriptor",`
`2`	`2`	`"serviceConfig": {`
`3`	`3`	`"id": "pipelines.dmpk.sygnature.tmax_cmax_sim.1",`
`4`	`4`	`"name": "TmaxCmaxSimulation",`
Original file line number	Diff line number	Diff line change
`@@ -1,4 +1,5 @@`
`1`	`1`	`{`
	`2`	`+ "@class":"org.squonk.core.DockerServiceDescriptor",`
`2`	`3`	`"serviceConfig": {`
`3`	`4`	`"id": "pipelines.rdkit.cluster.butina",`
`4`	`5`	`"name": "RDKitButinaClustering",`