WIP DOC: Code gallery: first steps

src/doc/gallery/index.rst

+
+PyCaosDB Code Gallery
+=====================
+
+This chapter collects code examples which can be immediately run against an empty CaosDB instance.
+
+.. toctree::
+   :maxdepth: 2
+   :caption: Contents:
+   :hidden:
+
+   simulation

src/doc/gallery/simulation.py

+import caosdb as db
+import numpy as np
+
+
+def main():
+    # 1. Set up the data model
+    setup_caosdb()
+
+    # 2.Run simulations
+    for i in range(200):
+        run_simulation(run=i, t_max=10)
+
+
+if __name__ == '__main__':
+    main()
+
+
+def setup_caosdb():
+    """Create the data model and insert it into CaosDB
+
+    The data model consists of the following RecordTypes:
+    
+    Software
+      with author and revision.
+
+    SoftwareRun
+      A specific run of the sofware, with input parameters, a date and a result.
+
+    Parameters
+      An aggregate of parameters, in this case the x,y,z initial values.
+
+    Result
+      The x,y,z values at the end of the software run.
+    
+    The data model of course also contains the corresponding properties for these RecordTypes.
+
+    """
+
+
+
+def run_simulation(run, t_max):
+    """
+    Integrate the Rössler attractor from random initial values.
+    """
+
+    a = 0.2; b = 0.2; c = 5.7
+
+    def diff(x, dt):
+        return (dt * (-x[1] - x[2]),
+                dt * (x[0] + a * x[1]),
+                dt * (b + x[2] * (x[0] - c)))
+
+    x0 = np.random.uniform(-10, 10, 3)
+    dt = 0.01
+    x = x0
+    for t in range(0, t_max, dt):
+        x += diff(x, dt)
+    return (x0, x)

src/doc/gallery/simulation.rst

+========================================
+Managing data from numerical simulations
+========================================
+
+This code example
+
+1. sets up the data model
+2. runs simulations
+3. stores the parameters and results into CaosDB
+4. retrieves the parameters for interesting results
+
+:download:`Download code<simulation.py>`
+
+.. literalinclude:: simulation.py

src/doc/index.rst

@@ -12,6 +12,7 @@ Welcome to PyCaosDB's documentation!
    Concepts <concepts>
    Configuration <configuration>
    Administration <administration>
+   Code gallery <gallery/index>
    API documentation<_apidoc/caosdb>
 
 This is the documentation for the Python client library for CaosDB, ``PyCaosDB``.