add rg to all job schema

bl1231 · Oct 27, 2024 · e8f35a0 · e8f35a0
1 parent fe44321
commit e8f35a0
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Showing 3 changed files with 11 additions and 1 deletion.
diff --git a/.nvmrc b/.nvmrc
@@ -1 +1 @@
-v20.17.0
+v20.18.0
diff --git a/src/interfaces/jobInterface.ts b/src/interfaces/jobInterface.ts
@@ -82,6 +82,7 @@ interface IBilboMDPDBJob extends IJob {
   pdb_file: string
   const_inp_file: string
   conformational_sampling: number
+  rg: number
   rg_min: number
   rg_max: number
 }
@@ -92,6 +93,7 @@ interface IBilboMDCRDJob extends IJob {
   pdb_file?: string
   const_inp_file: string
   conformational_sampling: number
+  rg: number
   rg_min: number
   rg_max: number
 }
@@ -103,6 +105,7 @@ interface IBilboMDAutoJob extends IJob {
   pae_file: string
   const_inp_file?: string
   conformational_sampling: number
+  rg?: number
   rg_min?: number
   rg_max?: number
 }
@@ -116,6 +119,7 @@ interface IBilboMDAlphaFoldJob extends IJob {
   pae_file?: string
   const_inp_file?: string
   conformational_sampling: number
+  rg?: number
   rg_min?: number
   rg_max?: number
 }
@@ -127,6 +131,7 @@ interface IBilboMDSANSJob extends IJob {
   const_inp_file: string
   conformational_sampling: number
   d2o_fraction: number
+  rg: number
   rg_min: number
   rg_max: number
   deuteration_fractions: Map<string, number>

diff --git a/src/models/Job.ts b/src/models/Job.ts
@@ -108,6 +108,7 @@ const bilboMdPDBJobSchema = new Schema<IBilboMDPDBJob>({
     enum: [1, 2, 3, 4],
     default: 1
   },
+  rg: { type: Number, required: true, min: 10, max: 100 },
   rg_min: { type: Number, required: true, min: 10, max: 100 },
   rg_max: { type: Number, required: true, min: 10, max: 100 }
 })
@@ -122,6 +123,7 @@ const bilboMdCRDJobSchema = new Schema<IBilboMDCRDJob>({
     enum: [1, 2, 3, 4],
     default: 1
   },
+  rg: { type: Number, required: true, min: 10, max: 100 },
   rg_min: { type: Number, required: true, min: 10, max: 100 },
   rg_max: { type: Number, required: true, min: 10, max: 100 }
 })
@@ -137,6 +139,7 @@ const bilboMdAutoJobSchema = new Schema<IBilboMDAutoJob>({
     enum: [1, 2, 3, 4],
     default: 1
   },
+  rg: { type: Number, required: false, min: 10, max: 100 },
   rg_min: { type: Number, required: false, min: 10, max: 100 },
   rg_max: { type: Number, required: false, min: 10, max: 100 }
 })
@@ -154,6 +157,7 @@ const bilboMdAlphaFoldJobSchema = new Schema<IBilboMDAlphaFoldJob>({
     enum: [1, 2, 3, 4],
     default: 1
   },
+  rg: { type: Number, required: false, min: 10, max: 100 },
   rg_min: { type: Number, required: false, min: 10, max: 100 },
   rg_max: { type: Number, required: false, min: 10, max: 100 }
 })
@@ -168,6 +172,7 @@ const bilboMdSANSJobSchema = new Schema<IBilboMDSANSJob>({
     enum: [1, 2, 3, 4],
     default: 1
   },
+  rg: { type: Number, required: true, min: 10, max: 100 },
   rg_min: { type: Number, required: true, min: 10, max: 100 },
   rg_max: { type: Number, required: true, min: 10, max: 100 },
   d2o_fraction: { type: Number, required: true },