test: compare mp7 & prt results in notebook tests, misc cleanup

autotest/prt_test_utils.py

@@ -54,56 +54,6 @@ def check_track_data(
     assert all(data_bin["ireason"] >= 0)
 
 
-def to_mp7_format(data: Union[pd.DataFrame, np.recarray]) -> pd.DataFrame:
-    if isinstance(data, pd.DataFrame):
-        data = data.to_records(index=False)
-
-    mp7_dtypes = np.dtype(
-        [
-            ("particleid", np.int32),
-            ("particlegroup", np.int32),
-            ("sequencenumber", np.int32),
-            ("particleidloc", np.int32),
-            ("time", np.float32),
-            ("x", np.float32),
-            ("y", np.float32),
-            ("z", np.float32),
-            ("k", np.int32),
-            ("node", np.int32),
-            ("xloc", np.float32),
-            ("yloc", np.float32),
-            ("zloc", np.float32),
-            ("stressperiod", np.int32),
-            ("timestep", np.int32),
-        ]
-    )
-
-    return pd.DataFrame(
-        np.core.records.fromarrays(
-            [
-                data["irpt"],
-                data["iprp"],
-                np.zeros(
-                    data.shape[0]
-                ),  # todo use sequencenumber passed explicitly as particle name
-                np.zeros(data.shape[0]),
-                data["t"],
-                data["x"],
-                data["y"],
-                data["z"],
-                data["ilay"],  # todo add to PRT output?
-                data["icell"],
-                np.zeros(data.shape[0]),
-                np.zeros(data.shape[0]),
-                np.zeros(data.shape[0]),
-                data["kper"],
-                data["kstp"],
-            ],
-            dtype=mp7_dtypes,
-        )
-    )
-
-
 def check_budget_data(lst: os.PathLike, perlen=1, nper=1, nstp=1):
     # load PRT model's list file
     mflist = flopy.utils.mflistfile.ListBudget(
@@ -190,4 +140,3 @@ def get_partdata(grid, rpts):
             timeoffset=0,
             drape=0,
         )
-

autotest/test_prt_exg01.py

@@ -23,14 +23,14 @@
 import pytest
 from flopy.utils import PathlineFile
 from flopy.utils.binaryfile import HeadFile
+from flopy.plot.plotutil import to_mp7_pathlines
 
 from framework import TestFramework
 from prt_test_utils import (
     all_equal,
     check_budget_data,
     check_track_data,
     has_default_boundnames,
-    to_mp7_format,
 )
 from simulation import TestSimulation
 
@@ -266,32 +266,31 @@ def test_mf6model(idx, name, function_tmpdir, targets):
 
     # load mp7 pathline results
     plf = PathlineFile(ws / mp7_pathline_file)
-    mp7_pldata = pd.DataFrame(
+    mp7_pls = pd.DataFrame(
         plf.get_destination_pathline_data(range(mg.nnodes), to_recarray=True)
     )
     # convert zero-based to one-based
-    mp7_pldata["particleid"] = mp7_pldata["particleid"] + 1
-    mp7_pldata["particlegroup"] = mp7_pldata["particlegroup"] + 1
-    mp7_pldata["node"] = mp7_pldata["node"] + 1
-    mp7_pldata["k"] = mp7_pldata["k"] + 1
+    mp7_pls["particlegroup"] = mp7_pls["particlegroup"] + 1
+    mp7_pls["node"] = mp7_pls["node"] + 1
+    mp7_pls["k"] = mp7_pls["k"] + 1
 
     # load mf6 pathline results
-    mf6_pldata = pd.read_csv(ws / prt_track_csv_file).replace(
+    mf6_pls = pd.read_csv(ws / prt_track_csv_file).replace(
         r"^\s*$", np.nan, regex=True
     )
 
     # make sure pathline dataframe has "name" column
-    assert "name" in mf6_pldata
+    assert "name" in mf6_pls
 
     # check boundname values
     if "bnms" in name:
         # boundnames should be release point numbers (so pandas parses them as ints)
         assert np.array_equal(
-            mf6_pldata["name"].to_numpy(), mf6_pldata["irpt"].to_numpy()
+            mf6_pls["name"].to_numpy(), mf6_pls["irpt"].to_numpy()
         )
     else:
         # no boundnames given so check for defaults
-        assert pd.isna(mf6_pldata["name"]).all()
+        assert pd.isna(mf6_pls["name"]).all()
 
     # check budget data were written to mf6 prt list file
     check_budget_data(ws / f"{name}_prt.lst", perlen, nper)
@@ -320,7 +319,7 @@ def test_mf6model(idx, name, function_tmpdir, targets):
     pmv.plot_grid()
     pmv.plot_array(hds[0], alpha=0.1)
     pmv.plot_vector(qx, qy, normalize=True, color="white")
-    mf6_plines = mf6_pldata.groupby(["iprp", "irpt", "trelease"])
+    mf6_plines = mf6_pls.groupby(["iprp", "irpt", "trelease"])
     for ipl, ((iprp, irpt, trelease), pl) in enumerate(mf6_plines):
         pl.plot(
             title="MF6 pathlines",
@@ -337,7 +336,7 @@ def test_mf6model(idx, name, function_tmpdir, targets):
     pmv.plot_grid()
     pmv.plot_array(hds[0], alpha=0.1)
     pmv.plot_vector(qx, qy, normalize=True, color="white")
-    mp7_plines = mp7_pldata.groupby(["particleid"])
+    mp7_plines = mp7_pls.groupby(["particleid"])
     for ipl, (pid, pl) in enumerate(mp7_plines):
         pl.plot(
             title="MP7 pathlines",
@@ -354,30 +353,24 @@ def test_mf6model(idx, name, function_tmpdir, targets):
     plt.savefig(ws / f"test_{name}.png")
 
     # convert mf6 pathlines to mp7 format
-    mf6_pldata_mp7 = to_mp7_format(mf6_pldata)
+    mf6_pls = to_mp7_pathlines(mf6_pls)
 
     # sort both dataframes by particleid and time
-    mf6_pldata_mp7.sort_values(by=["particleid", "time"], inplace=True)
-    mp7_pldata.sort_values(by=["particleid", "time"], inplace=True)
-
-    # drop duplicate locations
-    # (mp7 includes a duplicate location at the end of each pathline??)
-    cols = ["particleid", "x", "y", "z", "time"]
-    mp7_pldata = mp7_pldata.drop_duplicates(subset=cols)
-    mf6_pldata_mp7 = mf6_pldata_mp7.drop_duplicates(subset=cols)
+    mf6_pls.sort_values(by=["particleid", "time"], inplace=True)
+    mp7_pls.sort_values(by=["particleid", "time"], inplace=True)
 
     # drop columns for which there is no direct correspondence between mf6 and mp7
-    del mf6_pldata_mp7["sequencenumber"]
-    del mf6_pldata_mp7["particleidloc"]
-    del mf6_pldata_mp7["xloc"]
-    del mf6_pldata_mp7["yloc"]
-    del mf6_pldata_mp7["zloc"]
-    del mp7_pldata["sequencenumber"]
-    del mp7_pldata["particleidloc"]
-    del mp7_pldata["xloc"]
-    del mp7_pldata["yloc"]
-    del mp7_pldata["zloc"]
+    del mf6_pls["sequencenumber"]
+    del mf6_pls["particleidloc"]
+    del mf6_pls["xloc"]
+    del mf6_pls["yloc"]
+    del mf6_pls["zloc"]
+    del mp7_pls["sequencenumber"]
+    del mp7_pls["particleidloc"]
+    del mp7_pls["xloc"]
+    del mp7_pls["yloc"]
+    del mp7_pls["zloc"]
 
     # compare mf6 / mp7 pathline data
-    assert mf6_pldata_mp7.shape == mp7_pldata.shape
-    assert np.allclose(mf6_pldata_mp7, mp7_pldata, atol=1e-3)
+    assert mf6_pls.shape == mp7_pls.shape
+    assert np.allclose(mf6_pls, mp7_pls, atol=1e-3)

autotest/test_prt_fmi01.py

@@ -34,13 +34,13 @@
 import pytest
 from flopy.utils import PathlineFile
 from flopy.utils.binaryfile import HeadFile
+from flopy.plot.plotutil import to_mp7_pathlines
 from prt_test_utils import (
     all_equal,
     check_budget_data,
     check_track_data,
     get_partdata,
     has_default_boundnames,
-    to_mp7_format,
 )
 
 
@@ -339,25 +339,24 @@ def test_prt_fmi01(idx, name, function_tmpdir, targets):
 
     # load mp7 pathline results
     plf = PathlineFile(ws / mp7_pathline_file)
-    mp7_pldata = pd.DataFrame(
+    mp7_pls = pd.DataFrame(
         plf.get_destination_pathline_data(range(mg.nnodes), to_recarray=True)
     )
     # convert zero-based to one-based indexing in mp7 results
-    mp7_pldata["particleid"] = mp7_pldata["particleid"] + 1
-    mp7_pldata["particlegroup"] = mp7_pldata["particlegroup"] + 1
-    mp7_pldata["node"] = mp7_pldata["node"] + 1
-    mp7_pldata["k"] = mp7_pldata["k"] + 1
+    mp7_pls["particlegroup"] = mp7_pls["particlegroup"] + 1
+    mp7_pls["node"] = mp7_pls["node"] + 1
+    mp7_pls["k"] = mp7_pls["k"] + 1
 
     # load mf6 pathline results
-    mf6_pldata = pd.read_csv(ws / prt_track_csv_file, na_filter=False)
+    mf6_pls = pd.read_csv(ws / prt_track_csv_file, na_filter=False)
 
     # make sure pathline df has "name" (boundname) column and default values
-    assert "name" in mf6_pldata
-    assert has_default_boundnames(mf6_pldata)
+    assert "name" in mf6_pls
+    assert has_default_boundnames(mf6_pls)
 
     # make sure all mf6 pathline data have correct model and PRP index (1)
-    assert all_equal(mf6_pldata["imdl"], 1)
-    assert all_equal(mf6_pldata["iprp"], 1)
+    assert all_equal(mf6_pls["imdl"], 1)
+    assert all_equal(mf6_pls["iprp"], 1)
 
     # check budget data were written to mf6 prt list file
     check_budget_data(ws / f"{name}_prt.lst", perlen, nper)
@@ -387,7 +386,7 @@ def test_prt_fmi01(idx, name, function_tmpdir, targets):
     pmv.plot_grid()
     pmv.plot_array(hds[0], alpha=0.1)
     pmv.plot_vector(qx, qy, normalize=True, color="white")
-    mf6_plines = mf6_pldata.groupby(["iprp", "irpt", "trelease"])
+    mf6_plines = mf6_pls.groupby(["iprp", "irpt", "trelease"])
     for ipl, ((iprp, irpt, trelease), pl) in enumerate(mf6_plines):
         pl.plot(
             title="MF6 pathlines",
@@ -404,7 +403,7 @@ def test_prt_fmi01(idx, name, function_tmpdir, targets):
     pmv.plot_grid()
     pmv.plot_array(hds[0], alpha=0.1)
     pmv.plot_vector(qx, qy, normalize=True, color="white")
-    mp7_plines = mp7_pldata.groupby(["particleid"])
+    mp7_plines = mp7_pls.groupby(["particleid"])
     for ipl, (pid, pl) in enumerate(mp7_plines):
         pl.plot(
             title="MP7 pathlines",
@@ -421,24 +420,24 @@ def test_prt_fmi01(idx, name, function_tmpdir, targets):
     plt.savefig(ws / f"test_{simname}.png")
 
     # convert mf6 pathlines to mp7 format
-    mf6_pldata_mp7 = to_mp7_format(mf6_pldata)
+    mf6_pls = to_mp7_pathlines(mf6_pls)
 
     # sort both dataframes by particleid and time
-    mf6_pldata_mp7.sort_values(by=["particleid", "time"], inplace=True)
-    mp7_pldata.sort_values(by=["particleid", "time"], inplace=True)
+    mf6_pls.sort_values(by=["particleid", "time"], inplace=True)
+    mp7_pls.sort_values(by=["particleid", "time"], inplace=True)
 
     # drop columns for which there is no direct correspondence between mf6 and mp7
-    del mf6_pldata_mp7["sequencenumber"]
-    del mf6_pldata_mp7["particleidloc"]
-    del mf6_pldata_mp7["xloc"]
-    del mf6_pldata_mp7["yloc"]
-    del mf6_pldata_mp7["zloc"]
-    del mp7_pldata["sequencenumber"]
-    del mp7_pldata["particleidloc"]
-    del mp7_pldata["xloc"]
-    del mp7_pldata["yloc"]
-    del mp7_pldata["zloc"]
+    del mf6_pls["sequencenumber"]
+    del mf6_pls["particleidloc"]
+    del mf6_pls["xloc"]
+    del mf6_pls["yloc"]
+    del mf6_pls["zloc"]
+    del mp7_pls["sequencenumber"]
+    del mp7_pls["particleidloc"]
+    del mp7_pls["xloc"]
+    del mp7_pls["yloc"]
+    del mp7_pls["zloc"]
 
     # compare mf6 / mp7 pathline data
-    assert mf6_pldata_mp7.shape == mp7_pldata.shape
-    assert np.allclose(mf6_pldata_mp7, mp7_pldata, atol=1e-3)
+    assert mf6_pls.shape == mp7_pls.shape
+    assert np.allclose(mf6_pls, mp7_pls, atol=1e-3)