clean up quickstart, rename sim_ws -> path

docs/examples/quickstart.py

@@ -2,29 +2,30 @@
 
 import matplotlib.pyplot as plt
 import numpy as np
+from flopy.discretization.modeltime import ModelTime
+from flopy.discretization.structuredgrid import StructuredGrid
 
-from flopy4.mf6.gwf import Chd, Dis, Gwf, Ic, Npf, Oc
+from flopy4.mf6.gwf import Chd, Gwf, Npf, Oc
 from flopy4.mf6.ims import Ims
 from flopy4.mf6.simulation import Simulation
-from flopy4.mf6.tdis import Tdis
-
-ws = Path(__file__).parent / "quickstart_data"
-name = "mymodel"
-tdis = Tdis()
-ims = Ims()
-sim = Simulation(name=name, tdis=tdis, solutions={"ims": ims}, sim_ws=ws)
-dis = Dis(nrow=10, ncol=10)
-gwf = Gwf(parent=sim, name=name, save_flows=True, dis=dis)
-ic = Ic(parent=gwf)
+
+name = "quickstart"
+workspace = Path(__file__).parent / name
+time = ModelTime(perlen=[1.0], nstp=[1])
+grid = StructuredGrid(nlay=1, nrow=10, ncol=10)
+sim = Simulation(name=name, path=workspace, tdis=time)
+ims = Ims(parent=sim)
+gwf_name = "mymodel"
+gwf = Gwf(parent=sim, name=gwf_name, save_flows=True, dis=grid)
 npf = Npf(parent=gwf, save_specific_discharge=True)
 chd = Chd(
     parent=gwf,
     head={"*": {(0, 0, 0): 1.0, (0, 9, 9): 0.0}},
 )
 oc = Oc(
     parent=gwf,
-    budget_file=f"{name}.bud",
-    head_file=f"{name}.hds",
+    budget_file=f"{gwf.name}.bud",
+    head_file=f"{gwf.name}.hds",
     save_head={"*": "all"},
     save_budget={"*": "all"},
 )
@@ -35,7 +36,7 @@
 assert np.allclose(chd.data.head[:, 1:99], np.full(98, 1e30))
 
 # check DIS
-assert dis.data.botm.sel(lay=0, col=0, row=0) == 0.0
+assert gwf.dis.data.botm.sel(lay=0, col=0, row=0) == 0.0
 
 # check OC
 assert oc.data["save_head"][0] == "all"
@@ -56,4 +57,4 @@
 head.plot.imshow(ax=ax)
 head.plot.contour(ax=ax, levels=[0.2, 0.4, 0.6, 0.8], linewidths=3.0)
 budget.plot.quiver(x="x", y="y", u="npf-qx", v="npf-qy", ax=ax, color="white")
-fig.savefig(ws / "quickstart.png")
+fig.savefig(workspace / f"{name}.png")

flopy4/mf6/gwf/__init__.py

@@ -35,16 +35,18 @@ class Output:
 
         @property
         def head(self) -> xr.DataArray:
+            # TODO support other extensions than .hds (e.g. .hed)
             return open_hds(
-                self.parent.parent.sim_ws / f"{self.parent.name}.hds",  # type: ignore
-                self.parent.parent.sim_ws / f"{self.parent.name}.dis.grb",  # type: ignore
+                self.parent.parent.path / f"{self.parent.name}.hds",  # type: ignore
+                self.parent.parent.path / f"{self.parent.name}.dis.grb",  # type: ignore
             )
 
         @property
         def budget(self):
+            # TODO support other extensions than .bud (e.g. .cbc)
             return imod.mf6.open_cbc(
-                self.parent.parent.sim_ws / "mymodel.bud",
-                self.parent.parent.sim_ws / "mymodel.dis.grb",
+                self.parent.parent.path / f"{self.parent.name}.bud",
+                self.parent.parent.path / f"{self.parent.name}.dis.grb",
                 merge_to_dataset=True,
             )
 

flopy4/mf6/simulation.py

@@ -24,7 +24,9 @@ class Simulation(Component):
     exchanges: dict[str, Exchange] = field()
     solutions: dict[str, Solution] = field()
     tdis: Tdis = field(converter=convert_time)
-    sim_ws: Path = field(default=None)
+    # TODO: decorator for components bound
+    # to some directory or file path?
+    path: Path = field(default=None)
 
     @property
     def time(self) -> ModelTime: