initial stab at schema for pfhub use case

Author: wd15

working-examples/pfhub.yaml

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+# Use here
+#  - PhaseField: would be our new schema standard
+#  - test with schema.org validator
+# Also, see https://pages.nist.gov/material-schema/
+---
+type: Simulaton
+context: "http://schema.org/"
+id: "https://phasefieldschema.org/#Simulation"
+
+keywords: ???
+
+dateCreated: ???
+
+description: a
+
+contributor:
+  - type: Person
+    ...
+
+problemSpecification: # type???
+  type: MathSolver # ????????
+  abstract: "blah"
+  description: ""
+  keywords:
+    - type: DefinedTerm
+      name: cahnHilliard
+      inDefinedTermSet: https://phasefieldschema.org/equationTerms
+  application: none
+  identifier: https://pages.nist.gov/benchmark1.a
+  version: "1.a"
+  mathExpression: # from https://schema.org/MathSolver and takes LaTex or Ascii-Math
+    
+implementation:
+  codeRepository:
+
+  softwareDependencies:
+    - type: SoftwareSourceCode # from codemeta.json spec
+      description: 
+      name:
+      codeRespository:
+
+  inputFiles:
+    - type: SoftwareSourceCode  # https://schema.org/Code
+      name: run.py
+      url: 
+    - type: SoftwareSourceCode
+      name: initial_conditions.npz
+      type: application/zip
+      url: 
+
+  descriptors:
+    - type: PropertyValue
+      name: orderOfAccuracy
+      valueReference:
+        type: DefinedTerm
+        inDefinedTermSet: https://phasefieldschema.org/accuracyTerms
+      value: 2
+      
+    - type: PropetryValue
+      name: finiteVolume
+      valueReference:
+        type: DefinedTerm
+        inDefinedTermSet: https://phasefieldschema.org/discretizationTerms
+
+    - type: PropertyValue
+      name: adaptiveMeshing
+      description: >-
+        "This simulation uses adaptive gridding. The max and min
+        values refer to the degress of freedeom"
+      valueRefernence:
+        type: DefinedTerm
+        inDefinedTermSet: https://phasefieldschema.org/meshingTerms
+      maxValue: 1000000
+      minValue: 10000
+      
+    - type: PropertyValue
+      name: diffusionCoefficient
+      valueReference:
+        type: DefinedTerm
+        inDefinedTermSet: https://phasefieldschema.org/materialTerms
+      description: "the diffusion coefficient is unity for this problem"
+      value: 1.0
+      unitCode: null
+
+    - type: PropertyValue
+      name: "initial conditions"
+      valueReference:
+        type: DefinedTerm
+        inDefinedTermSet: https://phasefieldschema.org/variables
+        name: PhaseField
+      value: 0.0
+        
+summary: a
+
+schema:
+  url: ...
+
+contributors:
+  - type: Person
+    ...
+
+
+
+
+# See
+#  - https://github.com/ESIPFed/science-on-schema.org/blob/master/examples/dataset/variableMeasured-gridDataset.jsonld
+#  - https://github.com/ESIPFed/science-on-schema.org/blob/master/examples/dataset/variableMeasured-gridDataset.jsonld
+#  - https://earth-env-data-science.github.io/lectures/data.html
+datasets: # See https://github.com/ESIPFed/science-on-schema.org/blob/master/guides/Dataset.md
+  - type: Dataset
+    name: "Free energy versus time"
+    description: "Post-processed extensive values for solid fraction and free energy"
+    url: https://zenondo.org/records/1234/data.csv
+    variableMeasured:
+      - type: PropertyValue
+        name: free_energy
+        valueReference:
+          inDefinedTermSet: https://phasefieldschema.org/variables
+          name: FreeEnergy
+        unitText: "seconds"
+      - type: PropertyValue
+        name: time
+        valueReference:
+          inDefinedTermSet: https://phasefieldschema.org/variables
+          name: Time
+        unitCode:
+      - type: PropertyValue
+        name: solid_fraction
+        valueReference:
+          inDefinedTermSet: https://phasefieldschema.org/variables
+          name: SolidFraction
+        unitText:
+   - type: Dataset
+     name: "Initial Conditions"
+     description: "Field of initial conditions used in this simulation"
+     url: https://zenondo.org/records/1234/data.??? # netcdf file for example
+     variableMeasured:
+       - type: PropertyValue
+         name: phi
+         valueReference:
+           inDefinedTermSet: https://phasefieldschema.org/variables
+           name: PhaseField
+   
+
+     
+         
+  
+    
+  
+
+
+
+
+  
+
+    
+    
+