From 324ac18fb66ea1bd7600932b8d7e1d8ab4a75f70 Mon Sep 17 00:00:00 2001
From: w-bonelli <wbonelli@contractor.usgs.gov>
Date: Thu, 23 Mar 2023 11:48:59 -0400
Subject: [PATCH] feat(ParticleData): add get_coord_list() method, add example
 data for CellBudgetFile.get_pathlines() tests

---
 autotest/test_particledata.py            |   80 +-
 examples/data/prt_test/mfsim.lst         |  171 +
 examples/data/prt_test/mfsim.nam         |   19 +
 examples/data/prt_test/mp7-p04.gwfprt    |    1 +
 examples/data/prt_test/mp7-p04_bkwd.bud  |  Bin 0 -> 184744 bytes
 examples/data/prt_test/mp7-p04_bkwd.hds  |  Bin 0 -> 15844 bytes
 examples/data/prt_test/mp7-p04_prt.cbb   |  Bin 0 -> 109528 bytes
 examples/data/prt_test/mp7-p04_prt.dis   |   43 +
 examples/data/prt_test/mp7-p04_prt.disv  | 4397 ++++++++++++++++++++++
 examples/data/prt_test/mp7-p04_prt.ems   |    8 +
 examples/data/prt_test/mp7-p04_prt.fmi   |    9 +
 examples/data/prt_test/mp7-p04_prt.lst   |  282 ++
 examples/data/prt_test/mp7-p04_prt.mip   |    6 +
 examples/data/prt_test/mp7-p04_prt.nam   |   12 +
 examples/data/prt_test/mp7-p04_prt.oc    |    9 +
 examples/data/prt_test/mp7-p04_prt.tdis  |   13 +
 examples/data/prt_test/mp7-p04_prt_4.prp |   67 +
 flopy/modpath/mp7particledata.py         |   86 +-
 18 files changed, 5187 insertions(+), 16 deletions(-)
 create mode 100644 examples/data/prt_test/mfsim.lst
 create mode 100644 examples/data/prt_test/mfsim.nam
 create mode 100644 examples/data/prt_test/mp7-p04.gwfprt
 create mode 100644 examples/data/prt_test/mp7-p04_bkwd.bud
 create mode 100644 examples/data/prt_test/mp7-p04_bkwd.hds
 create mode 100644 examples/data/prt_test/mp7-p04_prt.cbb
 create mode 100644 examples/data/prt_test/mp7-p04_prt.dis
 create mode 100644 examples/data/prt_test/mp7-p04_prt.disv
 create mode 100644 examples/data/prt_test/mp7-p04_prt.ems
 create mode 100644 examples/data/prt_test/mp7-p04_prt.fmi
 create mode 100644 examples/data/prt_test/mp7-p04_prt.lst
 create mode 100644 examples/data/prt_test/mp7-p04_prt.mip
 create mode 100644 examples/data/prt_test/mp7-p04_prt.nam
 create mode 100644 examples/data/prt_test/mp7-p04_prt.oc
 create mode 100644 examples/data/prt_test/mp7-p04_prt.tdis
 create mode 100644 examples/data/prt_test/mp7-p04_prt_4.prp

diff --git a/autotest/test_particledata.py b/autotest/test_particledata.py
index 1f5bdc85fd..29928d1843 100644
--- a/autotest/test_particledata.py
+++ b/autotest/test_particledata.py
@@ -1,8 +1,10 @@
 import numpy as np
+import pytest
+from autotest.test_grid_cases import GridCases
 
 from flopy.modpath import ParticleData
 
-structured_plocs = [(1, 1, 1), (1, 1, 2)]
+structured_cells = [(0, 1, 1), (0, 1, 2)]
 structured_dtype = np.dtype(
     [
         ("k", "<i4"),
@@ -17,15 +19,15 @@
 )
 structured_array = np.core.records.fromrecords(
     [
-        (1, 1, 1, 0.5, 0.5, 0.5, 0.0, 0),
-        (1, 1, 2, 0.5, 0.5, 0.5, 0.0, 0),
+        (0, 1, 1, 0.5, 0.5, 0.5, 0.0, 0),
+        (0, 1, 2, 0.5, 0.5, 0.5, 0.0, 0),
     ],
     dtype=structured_dtype,
 )
 
 
-def test_particledata_structured_partlocs_as_list_of_tuples():
-    locs = structured_plocs
+def test_particledata_structured_ctor_with_partlocs_as_list_of_tuples():
+    locs = structured_cells
     data = ParticleData(partlocs=locs, structured=True)
 
     assert data.particlecount == 2
@@ -33,8 +35,8 @@ def test_particledata_structured_partlocs_as_list_of_tuples():
     assert np.array_equal(data.particledata, structured_array)
 
 
-def test_particledata_structured_partlocs_as_ndarray():
-    locs = np.array(structured_plocs)
+def test_particledata_structured_ctor_with_partlocs_as_ndarray():
+    locs = np.array(structured_cells)
     data = ParticleData(partlocs=locs, structured=True)
 
     assert data.particlecount == 2
@@ -42,10 +44,70 @@ def test_particledata_structured_partlocs_as_ndarray():
     assert np.array_equal(data.particledata, structured_array)
 
 
-def test_particledata_structured_partlocs_as_list_of_lists():
-    locs = [list(p) for p in structured_plocs]
+def test_particledata_structured_ctor_with_partlocs_as_list_of_lists():
+    locs = [list(p) for p in structured_cells]
     data = ParticleData(partlocs=locs, structured=True)
 
     assert data.particlecount == 2
     assert data.dtype == structured_dtype
     assert np.array_equal(data.particledata, structured_array)
+
+
+def test_particledata_structured_get_coord_list_with_ids():
+    data = ParticleData(
+        partlocs=structured_cells,
+        structured=True,
+        particleids=range(len(structured_cells)),
+    )
+    grid = GridCases().structured_small()
+    coords = data.get_coord_list(grid)
+
+    assert len(coords) == len(structured_cells)
+    assert all(
+        len(c) == 4 for c in coords
+    )  # each coord should be a tuple (id, x, y, z)
+    for ci, c in enumerate(coords):
+        assert ci == c[0]
+
+
+def test_particledata_structured_get_coord_list_no_ids():
+    data = ParticleData(partlocs=structured_cells, structured=True)
+    grid = GridCases().structured_small()
+    coords = data.get_coord_list(grid)
+
+    assert len(coords) == len(structured_cells)
+    assert all(
+        len(c) == 3 for c in coords
+    )  # each coord should be a tuple (x, y, z)
+
+    for ci, cell in enumerate(structured_cells):
+        # check containing cell is correct
+        coord = coords[ci]
+        assert cell == grid.intersect(*coord)
+
+        # check global coords are equivalent to local
+        k, i, j = cell
+        verts = grid.get_cell_vertices(i, j)
+        xs, ys = list(zip(*verts))
+        minx, maxx = min(xs), max(xs)
+        miny, maxy = min(ys), max(ys)
+        minz, maxz = grid.botm[k, i, j], grid.top[i, j]
+        assert np.isclose(
+            coord[2], minz + (structured_array[ci][3] * (maxz - minz))
+        )
+        assert np.isclose(
+            coord[0], minx + (structured_array[ci][4] * (maxx - minx))
+        )
+        assert np.isclose(
+            coord[1], miny + (structured_array[ci][5] * (maxy - miny))
+        )
+
+
+@pytest.mark.skip(reason="todo")
+def test_lrcparticledata_get_coord_list():
+    pass
+
+
+@pytest.mark.skip(reason="todo")
+def test_nodeparticledata_get_coord_list():
+    pass
diff --git a/examples/data/prt_test/mfsim.lst b/examples/data/prt_test/mfsim.lst
new file mode 100644
index 0000000000..ca9bec79d7
--- /dev/null
+++ b/examples/data/prt_test/mfsim.lst
@@ -0,0 +1,171 @@
+                                   MODFLOW 6
+                U.S. GEOLOGICAL SURVEY MODULAR HYDROLOGIC MODEL
+                   VERSION 6.3.0 release candidate 07/30/2021
+                               ***DEVELOP MODE***
+
+        MODFLOW 6 compiled Mar 21 2023 14:01:53 with GCC version 11.3.0
+
+This software is preliminary or provisional and is subject to 
+revision. It is being provided to meet the need for timely best 
+science. The software has not received final approval by the U.S. 
+Geological Survey (USGS). No warranty, expressed or implied, is made 
+by the USGS or the U.S. Government as to the functionality of the 
+software and related material nor shall the fact of release 
+constitute any such warranty. The software is provided on the 
+condition that neither the USGS nor the U.S. Government shall be held 
+liable for any damages resulting from the authorized or unauthorized 
+use of the software.
+
+
+As a work of the United States Government, this USGS product is 
+in the public domain within the United States. You can copy, 
+modify, distribute, and perform the work, even for commercial 
+purposes, all without asking permission. Additionally, USGS 
+waives copyright and related rights in the work worldwide 
+through CC0 1.0 Universal Public Domain Dedication 
+(https://creativecommons.org/publicdomain/zero/1.0/).
+
+The following GNU Lesser General Public License (LGPL) libraries
+are used in this USGS product:
+
+    SPARSKIT version 2.0
+      ilut, luson, and qsplit 
+      (https://www-users.cse.umn.edu/~saad/software/SPARSKIT/)
+
+    RCM - Reverse Cuthill McKee Ordering
+      (https://people.math.sc.edu/Burkardt/f_src/rcm/rcm.html)
+
+    BLAS - Basic Linear Algebra Subprograms Level 1
+      (https://people.math.sc.edu/Burkardt/f_src/blas1_d/blas1_d.html)
+
+    SPARSEKIT - Sparse Matrix Utility Package
+      amux, dperm, dvperm, rperm, and cperm
+      (https://people.sc.fsu.edu/~jburkardt/f77_src/sparsekit/sparsekit.html)
+
+The following BSD-3 License libraries are used in this USGS product:
+
+    Modern Fortran DAG Library
+      Copyright (c) 2018, Jacob Williams
+      All rights reserved.
+      (https://github.com/jacobwilliams/daglib)
+
+MODFLOW 6 compiler options: -fdiagnostics-color=always -cpp -I
+src/libmf6core.a.p -I src -I ../src -I src/libmf6_external.a.p -imultiarch
+x86_64-linux-gnu -D _FILE_OFFSET_BITS=64 -D __linux__ -mtune=generic
+-march=x86-64 -g -O0 -Wall -Wpedantic -Wcharacter-truncation
+-Wno-unused-dummy-argument -Wno-intrinsic-shadow -Wno-maybe-uninitialized
+-Wno-uninitialized -std=f2008 -fcheck=all
+-ffpe-trap=overflow,zero,invalid,denormal -fPIC -J src/libmf6core.a.p
+-fpre-include=/usr/include/finclude/math-vector-fortran.h
+
+System command used to initiate simulation:
+/home/wbonelli/dev/prt-examples-temp/venv/bin/mf6
+
+MODFLOW was compiled using uniform precision.
+
+Real Variables
+  KIND: 8
+  TINY (smallest non-zero value):    2.225074-308
+  HUGE (largest value):    1.797693+308
+  PRECISION: 15
+  BIT SIZE: 64
+
+Integer Variables
+  KIND: 4
+  HUGE (largest value): 2147483647
+  BIT SIZE: 32
+
+Long Integer Variables
+  KIND: 8
+  HUGE (largest value): 9223372036854775807
+  BIT SIZE: 64
+
+Logical Variables
+  KIND: 4
+  BIT SIZE: 32
+
+
+ OPENED mfsim.nam
+ FILE TYPE:NAM   UNIT 1001   STATUS:OLD                 
+ FORMAT:FORMATTED              ACCESS:SEQUENTIAL          
+ ACTION:READ                
+
+ # File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+
+ READING SIMULATION OPTIONS
+ END OF SIMULATION OPTIONS
+
+ READING SIMULATION TIMING
+
+ OPENED mp7-p04_prt.tdis
+ FILE TYPE:TDIS   UNIT 1002   STATUS:OLD                 
+ FORMAT:FORMATTED              ACCESS:SEQUENTIAL          
+ ACTION:READ                
+
+
+ TDIS -- TEMPORAL DISCRETIZATION PACKAGE,
+ VERSION 1 : 11/13/2014 - INPUT READ FROM UNIT 1002
+ # File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+ PROCESSING TDIS OPTIONS
+    SIMULATION TIME UNIT IS DAYS
+ END OF TDIS OPTIONS
+ PROCESSING TDIS DIMENSIONS
+    1 STRESS PERIOD(S) IN SIMULATION
+ END OF TDIS DIMENSIONS
+ PROCESSING TDIS PERIODDATA
+
+
+ STRESS PERIOD     LENGTH       TIME STEPS     MULTIPLIER FOR DELT
+ ----------------------------------------------------------------------------
+        1         10000.00          1                    1.000
+ END OF TDIS PERIODDATA
+ END OF SIMULATION TIMING
+
+ READING SIMULATION MODELS
+    PRT6 model MP7-P04_PRT will be created as model 1
+ END OF SIMULATION MODELS
+
+ READING SIMULATION EXCHANGES
+ END OF SIMULATION EXCHANGES
+
+ READING SOLUTIONGROUP
+
+ Creating explicit solution (EMS): SLN_1           
+
+
+ OPENED mp7-p04_prt.ems
+ FILE TYPE:IMS   UNIT 1010   STATUS:OLD                 
+ FORMAT:FORMATTED              ACCESS:SEQUENTIAL          
+ ACTION:READ                
+
+ END OF SIMULATION SOLUTIONGROUP
+
+PROCESSING MODEL CONNECTIONS
+
+    Solving:  Stress period:     1    Time step:     1
+
+1
+                            STRESS PERIOD NO. 1, LENGTH =   10000.00    
+                            -----------------------------------------------
+                            NUMBER OF TIME STEPS = 1
+                            MULTIPLIER FOR DELT =     1.000
+                            INITIAL TIME STEP SIZE =   10000.00    
+
+ MEMORY MANAGER TOTAL STORAGE BY DATA TYPE, IN MEGABYTES
+ -------------------------------
+                    ALLOCATED   
+ DATA TYPE           MEMORY     
+ -------------------------------
+ Character        2.67600000E-03
+ Logical          3.60000000E-05
+ Integer          8.2978240     
+ Real             32.566992     
+ -------------------------------
+ Total            40.867528     
+ -------------------------------
+
+
+
+ Run end date and time (yyyy/mm/dd hh:mm:ss): 2023/03/22 10:04:40
+ Elapsed run time:  0.029 Seconds
+ Normal termination of simulation.
diff --git a/examples/data/prt_test/mfsim.nam b/examples/data/prt_test/mfsim.nam
new file mode 100644
index 0000000000..9593d1759f
--- /dev/null
+++ b/examples/data/prt_test/mfsim.nam
@@ -0,0 +1,19 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN options
+END options
+
+BEGIN timing
+  TDIS6  mp7-p04_prt.tdis
+END timing
+
+BEGIN models
+  prt6  mp7-p04_prt.nam  mp7-p04_prt
+END models
+
+BEGIN exchanges
+END exchanges
+
+BEGIN solutiongroup  1
+  ims6  mp7-p04_prt.ems  mp7-p04_prt
+END solutiongroup  1
+
diff --git a/examples/data/prt_test/mp7-p04.gwfprt b/examples/data/prt_test/mp7-p04.gwfprt
new file mode 100644
index 0000000000..8896bee7db
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04.gwfprt
@@ -0,0 +1 @@
+# File generated by Flopy version 3.3.7 on 03/20/2023 at 13:24:52.
diff --git a/examples/data/prt_test/mp7-p04_bkwd.bud b/examples/data/prt_test/mp7-p04_bkwd.bud
new file mode 100644
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diff --git a/examples/data/prt_test/mp7-p04_bkwd.hds b/examples/data/prt_test/mp7-p04_bkwd.hds
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diff --git a/examples/data/prt_test/mp7-p04_prt.cbb b/examples/data/prt_test/mp7-p04_prt.cbb
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diff --git a/examples/data/prt_test/mp7-p04_prt.dis b/examples/data/prt_test/mp7-p04_prt.dis
new file mode 100644
index 0000000000..70b38d2884
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.dis
@@ -0,0 +1,43 @@
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+BEGIN options
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+END options
+
+BEGIN dimensions
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+END griddata
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diff --git a/examples/data/prt_test/mp7-p04_prt.disv b/examples/data/prt_test/mp7-p04_prt.disv
new file mode 100644
index 0000000000..e5d7b475ec
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.disv
@@ -0,0 +1,4397 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN options
+END options
+
+BEGIN dimensions
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+       100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000     100.00000000
+  botm
+    INTERNAL  FACTOR  1.0
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+  idomain
+    INTERNAL  FACTOR  1
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+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
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+    1  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
+    1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
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+  1932    4750.00000000     750.00000000  5  2030  2031  2058  2057  2030
+  1933    5250.00000000     750.00000000  5  2031  2032  2059  2058  2031
+  1934    5750.00000000     750.00000000  5  2032  2033  2060  2059  2032
+  1935    6250.00000000     750.00000000  5  2033  2034  2061  2060  2033
+  1936    6750.00000000     750.00000000  5  2034  2035  2062  2061  2034
+  1937    7250.00000000     750.00000000  5  2035  2036  2063  2062  2035
+  1938    7750.00000000     750.00000000  5  2036  2037  2064  2063  2036
+  1939    8250.00000000     750.00000000  5  2037  2038  2065  2064  2037
+  1940    8750.00000000     750.00000000  5  2038  2039  2066  2065  2038
+  1941    9250.00000000     750.00000000  5  2039  2040  2067  2066  2039
+  1942    9750.00000000     750.00000000  5  2040  2041  2068  2067  2040
+  1943   10250.00000000     750.00000000  5  2041  2042  2069  2068  2041
+  1944   10750.00000000     750.00000000  5  2042  2043  2070  2069  2042
+  1945   11250.00000000     750.00000000  5  2043  2044  2071  2070  2043
+  1946   11750.00000000     750.00000000  5  2044  2045  2072  2071  2044
+  1947   12250.00000000     750.00000000  5  2045  2046  2073  2072  2045
+  1948   12750.00000000     750.00000000  5  2046  2047  2074  2073  2046
+  1949     250.00000000     250.00000000  5  2049  2048  2075  2076  2049
+  1950     750.00000000     250.00000000  5  2048  2050  2077  2075  2048
+  1951    1250.00000000     250.00000000  5  2050  2051  2078  2077  2050
+  1952    1750.00000000     250.00000000  5  2051  2052  2079  2078  2051
+  1953    2250.00000000     250.00000000  5  2052  2053  2080  2079  2052
+  1954    2750.00000000     250.00000000  5  2053  2054  2081  2080  2053
+  1955    3250.00000000     250.00000000  5  2054  2055  2082  2081  2054
+  1956    3750.00000000     250.00000000  5  2055  2056  2083  2082  2055
+  1957    4250.00000000     250.00000000  5  2056  2057  2084  2083  2056
+  1958    4750.00000000     250.00000000  5  2057  2058  2085  2084  2057
+  1959    5250.00000000     250.00000000  5  2058  2059  2086  2085  2058
+  1960    5750.00000000     250.00000000  5  2059  2060  2087  2086  2059
+  1961    6250.00000000     250.00000000  5  2060  2061  2088  2087  2060
+  1962    6750.00000000     250.00000000  5  2061  2062  2089  2088  2061
+  1963    7250.00000000     250.00000000  5  2062  2063  2090  2089  2062
+  1964    7750.00000000     250.00000000  5  2063  2064  2091  2090  2063
+  1965    8250.00000000     250.00000000  5  2064  2065  2092  2091  2064
+  1966    8750.00000000     250.00000000  5  2065  2066  2093  2092  2065
+  1967    9250.00000000     250.00000000  5  2066  2067  2094  2093  2066
+  1968    9750.00000000     250.00000000  5  2067  2068  2095  2094  2067
+  1969   10250.00000000     250.00000000  5  2068  2069  2096  2095  2068
+  1970   10750.00000000     250.00000000  5  2069  2070  2097  2096  2069
+  1971   11250.00000000     250.00000000  5  2070  2071  2098  2097  2070
+  1972   11750.00000000     250.00000000  5  2071  2072  2099  2098  2071
+  1973   12250.00000000     250.00000000  5  2072  2073  2100  2099  2072
+  1974   12750.00000000     250.00000000  5  2073  2074  2101  2100  2073
+END cell2d
+
diff --git a/examples/data/prt_test/mp7-p04_prt.ems b/examples/data/prt_test/mp7-p04_prt.ems
new file mode 100644
index 0000000000..5b5d52e120
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.ems
@@ -0,0 +1,8 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN options
+END options
+
+BEGIN nonlinear
+  OUTER_MAXIMUM  100
+END nonlinear
+
diff --git a/examples/data/prt_test/mp7-p04_prt.fmi b/examples/data/prt_test/mp7-p04_prt.fmi
new file mode 100644
index 0000000000..deef43f07e
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.fmi
@@ -0,0 +1,9 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN options
+END options
+
+BEGIN packagedata
+  GWFHEAD  FILEIN  mp7-p04_bkwd.hds
+  GWFBUDGET  FILEIN  mp7-p04_bkwd.bud
+END packagedata
+
diff --git a/examples/data/prt_test/mp7-p04_prt.lst b/examples/data/prt_test/mp7-p04_prt.lst
new file mode 100644
index 0000000000..4d43a8cce2
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.lst
@@ -0,0 +1,282 @@
+                                   MODFLOW 6
+                U.S. GEOLOGICAL SURVEY MODULAR HYDROLOGIC MODEL
+                         PARTICLE TRACKING MODEL (PRT)
+                   VERSION 6.3.0 release candidate 07/30/2021
+                               ***DEVELOP MODE***
+
+        MODFLOW 6 compiled Mar 21 2023 14:01:53 with GCC version 11.3.0
+
+This software is preliminary or provisional and is subject to 
+revision. It is being provided to meet the need for timely best 
+science. The software has not received final approval by the U.S. 
+Geological Survey (USGS). No warranty, expressed or implied, is made 
+by the USGS or the U.S. Government as to the functionality of the 
+software and related material nor shall the fact of release 
+constitute any such warranty. The software is provided on the 
+condition that neither the USGS nor the U.S. Government shall be held 
+liable for any damages resulting from the authorized or unauthorized 
+use of the software.
+
+
+As a work of the United States Government, this USGS product is 
+in the public domain within the United States. You can copy, 
+modify, distribute, and perform the work, even for commercial 
+purposes, all without asking permission. Additionally, USGS 
+waives copyright and related rights in the work worldwide 
+through CC0 1.0 Universal Public Domain Dedication 
+(https://creativecommons.org/publicdomain/zero/1.0/).
+
+The following GNU Lesser General Public License (LGPL) libraries
+are used in this USGS product:
+
+    SPARSKIT version 2.0
+      ilut, luson, and qsplit 
+      (https://www-users.cse.umn.edu/~saad/software/SPARSKIT/)
+
+    RCM - Reverse Cuthill McKee Ordering
+      (https://people.math.sc.edu/Burkardt/f_src/rcm/rcm.html)
+
+    BLAS - Basic Linear Algebra Subprograms Level 1
+      (https://people.math.sc.edu/Burkardt/f_src/blas1_d/blas1_d.html)
+
+    SPARSEKIT - Sparse Matrix Utility Package
+      amux, dperm, dvperm, rperm, and cperm
+      (https://people.sc.fsu.edu/~jburkardt/f77_src/sparsekit/sparsekit.html)
+
+The following BSD-3 License libraries are used in this USGS product:
+
+    Modern Fortran DAG Library
+      Copyright (c) 2018, Jacob Williams
+      All rights reserved.
+      (https://github.com/jacobwilliams/daglib)
+
+MODFLOW 6 compiler options: -fdiagnostics-color=always -cpp -I
+src/libmf6core.a.p -I src -I ../src -I src/libmf6_external.a.p -imultiarch
+x86_64-linux-gnu -D _FILE_OFFSET_BITS=64 -D __linux__ -mtune=generic
+-march=x86-64 -g -O0 -Wall -Wpedantic -Wcharacter-truncation
+-Wno-unused-dummy-argument -Wno-intrinsic-shadow -Wno-maybe-uninitialized
+-Wno-uninitialized -std=f2008 -fcheck=all
+-ffpe-trap=overflow,zero,invalid,denormal -fPIC -J src/libmf6core.a.p
+-fpre-include=/usr/include/finclude/math-vector-fortran.h
+
+System command used to initiate simulation:
+/home/wbonelli/dev/prt-examples-temp/venv/bin/mf6
+
+MODFLOW was compiled using uniform precision.
+
+Real Variables
+  KIND: 8
+  TINY (smallest non-zero value):    2.225074-308
+  HUGE (largest value):    1.797693+308
+  PRECISION: 15
+  BIT SIZE: 64
+
+Integer Variables
+  KIND: 4
+  HUGE (largest value): 2147483647
+  BIT SIZE: 32
+
+Long Integer Variables
+  KIND: 8
+  HUGE (largest value): 9223372036854775807
+  BIT SIZE: 64
+
+Logical Variables
+  KIND: 4
+  BIT SIZE: 32
+
+
+ OPENED mp7-p04_prt.disv
+ FILE TYPE:DISV6                  UNIT 1005   STATUS:OLD                 
+ FORMAT:FORMATTED              ACCESS:SEQUENTIAL          
+ ACTION:READ                
+
+
+ OPENED mp7-p04_prt.mip
+ FILE TYPE:MIP6                   UNIT 1006   STATUS:OLD                 
+ FORMAT:FORMATTED              ACCESS:SEQUENTIAL          
+ ACTION:READ                
+
+
+ OPENED mp7-p04_prt_4.prp
+ FILE TYPE:PRP6                   UNIT 1007   STATUS:OLD                 
+ FORMAT:FORMATTED              ACCESS:SEQUENTIAL          
+ ACTION:READ                
+
+
+ OPENED mp7-p04_prt.oc
+ FILE TYPE:OC6                    UNIT 1008   STATUS:OLD                 
+ FORMAT:FORMATTED              ACCESS:SEQUENTIAL          
+ ACTION:READ                
+
+
+ OPENED mp7-p04_prt.fmi
+ FILE TYPE:FMI6                   UNIT 1009   STATUS:OLD                 
+ FORMAT:FORMATTED              ACCESS:SEQUENTIAL          
+ ACTION:READ                
+
+
+ DISV -- VERTEX GRID DISCRETIZATION PACKAGE, VERSION 1 : 12/23/2015 - INPUT READ FROM UNIT 1005
+
+
+ # File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+
+ PROCESSING DISCRETIZATION OPTIONS
+   MODEL LENGTH UNIT IS UNDEFINED
+ END OF DISCRETIZATION OPTIONS
+
+ PROCESSING DISCRETIZATION DIMENSIONS
+   NLAY = 1
+   NCPL = 1974
+   NVERT = 2101
+ END OF DISCRETIZATION DIMENSIONS
+
+ PROCESSING GRIDDATA
+ END PROCESSING GRIDDATA
+
+ PROCESSING VERTICES
+   SUCCESSFULLY READ 2101 (X,Y) COORDINATES
+   MINIMUM X COORDINATE =     0.00000000000000    
+   MAXIMUM X COORDINATE =     13000.0000000000    
+   MINIMUM Y COORDINATE =     0.00000000000000    
+   MAXIMUM Y COORDINATE =     10500.0000000000    
+ END PROCESSING VERTICES
+
+ PROCESSING CELL2D
+   SUCCESSFULLY READ 1974 CELL2D INFORMATION ENTRIES
+   MINIMUM X CELL CENTER =     250.000000000000    
+   MAXIMUM X CELL CENTER =     12750.0000000000    
+   MINIMUM Y CELL CENTER =     250.000000000000    
+   MAXIMUM Y CELL CENTER =     10250.0000000000    
+   MAXIMUM NUMBER OF CELL2D VERTICES IS 7 FOR CELL 32
+ END PROCESSING VERTICES
+
+ THE SPECIFIED IDOMAIN RESULTS IN A REDUCED NUMBER OF CELLS.
+ NUMBER OF USER NODES:    1974
+ NUMBER OF NODES IN SOLUTION:    1747
+
+
+
+ PRTFMI -- PRT FLOW MODEL INTERFACE, VERSION 1, 8/29/2017 INPUT READ FROM UNIT 1009
+
+
+ # File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+ PROCESSING FMI OPTIONS
+ END OF FMI OPTIONS
+ PROCESSING FMI PACKAGEDATA
+
+ OPENED mp7-p04_bkwd.hds
+ FILE TYPE:DATA(BINARY)   UNIT 1011   STATUS:UNKNOWN             
+ FORMAT:UNFORMATTED            ACCESS:STREAM              
+ ACTION:READWRITE           
+
+Reading binary file to determine number of records per time step.
+Detected 1 unique records in binary file.
+
+ OPENED mp7-p04_bkwd.bud
+ FILE TYPE:DATA(BINARY)   UNIT 1012   STATUS:UNKNOWN             
+ FORMAT:UNFORMATTED            ACCESS:STREAM              
+ ACTION:READWRITE           
+
+Reading budget file to determine number of terms per time step.
+    0.00000                 CHD CHD             
+    0.00000                 WEL WEL             
+    0.00000            DATA-SAT NPF             
+    0.00000          DATA-SPDIS NPF             
+    0.00000        FLOW-JA-FACE                 
+Detected 5 unique flow terms in budget file.
+ END OF FMI PACKAGEDATA
+
+ PRP   -- PRP PACKAGE, VERSION 8, 2/22/2014 INPUT READ FROM UNIT 1007
+ # File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+
+ PROCESSING PRP OPTIONS
+ END OF PRP OPTIONS
+ PROCESSING PARTICLE INPUT DIMENSIONS
+ END OF PARTICLE INPUT DIMENSIONS
+
+ PROCESSING PRP PACKAGEDATA
+ END OF PRP PACKAGEDATA
+
+ MIP -- MODEL INPUT PACKAGE, VERSION X, X/XX/XXXX INPUT READ FROM UNIT 1006
+ # File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+ PROCESSING GRIDDATA
+
+ POROSITY =  0.1000000    
+ END PROCESSING GRIDDATA
+      THE LAST TIME STEP WILL BE PRINTED
+      THE LAST TIME STEP WILL BE PRINTED
+ # File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+
+ PROCESSING OC OPTIONS
+
+    BUDGET INFORMATION WILL BE WRITTEN TO:
+      UNIT NUMBER: 1013
+      FILE NAME: mp7-p04_prt.cbb
+
+ OPENED mp7-p04_prt.cbb
+ FILE TYPE:DATA(BINARY)   UNIT 1013   STATUS:REPLACE             
+ FORMAT:UNFORMATTED            ACCESS:STREAM              
+ ACTION:READWRITE           
+
+ END OF OC OPTIONS
+
+start timestep kper="1" kstp="1" mode="normal"
+
+
+ BEGIN READING OUTPUT CONTROL FOR STRESS PERIOD 1
+      ALL TIME STEPS WILL BE SAVED
+
+ END READING OUTPUT CONTROL FOR STRESS PERIOD 1
+
+ PARTICLE RELEASE SCHEDULED AT THE START OF EACH TIME STEP THAT MATCHES ONE OR MORE OF THE FOLLOWING:
+      FIRST TIME STEP (START OF STRESS PERIOD)
+
+ FMI READING BUDGET TERMS FOR KSTP 1 KPER 1
+    0.00000                 CHD CHD             
+    0.00000                 WEL WEL             
+    0.00000            DATA-SAT NPF             
+    0.00000          DATA-SPDIS NPF             
+    0.00000        FLOW-JA-FACE                 
+
+ FMI READING HEAD FOR KSTP 1 KPER 1
+ UBDSV06 SAVING       DATA-PRTCL IN MODEL MP7-P04_PRT      PACKAGE PRP             CONNECTED TO MODEL MP7-P04_PRT      PACKAGE PRP              ON UNIT   1013 AT TIME STEP      1, STRESS PERIOD      1
+
+
+  MASS BUDGET FOR ENTIRE MODEL AT END OF TIME STEP    1, STRESS PERIOD   1
+  ---------------------------------------------------------------------------------------------------
+
+     CUMULATIVE MASS      M       RATES FOR THIS TIME STEP      M/T          PACKAGE NAME    
+     ------------------                 ------------------------                     ----------------
+
+           IN:                                      IN:
+           ---                                      ---
+             STORAGE =           0.0000               STORAGE =           0.0000     PRT                              
+                 PRP =          52.0000                   PRP =       5.2000E-03     PRP                              
+
+            TOTAL IN =          52.0000              TOTAL IN =       5.2000E-03
+
+          OUT:                                     OUT:
+          ----                                     ----
+             STORAGE =          52.0000               STORAGE =       5.2000E-03     PRT                              
+                 PRP =           0.0000                   PRP =           0.0000     PRP                              
+
+           TOTAL OUT =          52.0000             TOTAL OUT =       5.2000E-03
+
+            IN - OUT =      -2.8422E-14              IN - OUT =      -2.6021E-18
+
+ PERCENT DISCREPANCY =          -0.00     PERCENT DISCREPANCY =          -0.00
+
+
+
+
+         TIME SUMMARY AT END OF TIME STEP    1 IN STRESS PERIOD    1
+                    SECONDS     MINUTES      HOURS       DAYS        YEARS
+                    -----------------------------------------------------------
+   TIME STEP LENGTH 8.64000E+08 1.44000E+07 2.40000E+05  10000.      27.379    
+ STRESS PERIOD TIME 8.64000E+08 1.44000E+07 2.40000E+05  10000.      27.379    
+         TOTAL TIME 8.64000E+08 1.44000E+07 2.40000E+05  10000.      27.379    
+
+
+end timestep
+
diff --git a/examples/data/prt_test/mp7-p04_prt.mip b/examples/data/prt_test/mp7-p04_prt.mip
new file mode 100644
index 0000000000..bf79da6257
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.mip
@@ -0,0 +1,6 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN griddata
+  porosity
+    CONSTANT       0.10000000
+END griddata
+
diff --git a/examples/data/prt_test/mp7-p04_prt.nam b/examples/data/prt_test/mp7-p04_prt.nam
new file mode 100644
index 0000000000..b70ec4688a
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.nam
@@ -0,0 +1,12 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN options
+END options
+
+BEGIN packages
+  DISV6  mp7-p04_prt.disv  disv
+  MIP6  mp7-p04_prt.mip  mip
+  PRP6  mp7-p04_prt_4.prp  prp
+  OC6  mp7-p04_prt.oc  oc
+  FMI6  mp7-p04_prt.fmi  fmi
+END packages
+
diff --git a/examples/data/prt_test/mp7-p04_prt.oc b/examples/data/prt_test/mp7-p04_prt.oc
new file mode 100644
index 0000000000..d8e4cc1aa2
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.oc
@@ -0,0 +1,9 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN options
+  BUDGET  FILEOUT  mp7-p04_prt.cbb
+END options
+
+BEGIN period  1
+  SAVE  BUDGET  ALL
+END period  1
+
diff --git a/examples/data/prt_test/mp7-p04_prt.tdis b/examples/data/prt_test/mp7-p04_prt.tdis
new file mode 100644
index 0000000000..f6e699005b
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt.tdis
@@ -0,0 +1,13 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN options
+  TIME_UNITS  days
+END options
+
+BEGIN dimensions
+  NPER  1
+END dimensions
+
+BEGIN perioddata
+   10000.00000000  1       1.00000000
+END perioddata
+
diff --git a/examples/data/prt_test/mp7-p04_prt_4.prp b/examples/data/prt_test/mp7-p04_prt_4.prp
new file mode 100644
index 0000000000..dd75e17020
--- /dev/null
+++ b/examples/data/prt_test/mp7-p04_prt_4.prp
@@ -0,0 +1,67 @@
+# File generated by Flopy version 3.3.7 on 03/22/2023 at 10:04:40.
+BEGIN options
+END options
+
+BEGIN dimensions
+  NRELEASEPTS  52
+END dimensions
+
+BEGIN packagedata
+  1  1 1328   12500.00000000    7062.50000000     100.00000000
+  2  1 1328   12500.00000000    7187.50000000     100.00000000
+  3  1 1328   12500.00000000    7312.50000000     100.00000000
+  4  1 1328   12500.00000000    7437.50000000     100.00000000
+  5  1 1546   12500.00000000    6562.50000000     100.00000000
+  6  1 1546   12500.00000000    6687.50000000     100.00000000
+  7  1 1546   12500.00000000    6812.50000000     100.00000000
+  8  1 1546   12500.00000000    6937.50000000     100.00000000
+  9  1 1644   12500.00000000    6062.50000000     100.00000000
+  10  1 1644   12500.00000000    6187.50000000     100.00000000
+  11  1 1644   12500.00000000    6312.50000000     100.00000000
+  12  1 1644   12500.00000000    6437.50000000     100.00000000
+  13  1 1688   12500.00000000    5562.50000000     100.00000000
+  14  1 1688   12500.00000000    5687.50000000     100.00000000
+  15  1 1688   12500.00000000    5812.50000000     100.00000000
+  16  1 1688   12500.00000000    5937.50000000     100.00000000
+  17  1 1714   12500.00000000    5062.50000000     100.00000000
+  18  1 1714   12500.00000000    5187.50000000     100.00000000
+  19  1 1714   12500.00000000    5312.50000000     100.00000000
+  20  1 1714   12500.00000000    5437.50000000     100.00000000
+  21  1 862    4500.00000000    7820.31250000     100.00000000
+  22  1 862    4500.00000000    7835.93750000     100.00000000
+  23  1 862    4500.00000000    7851.56250000     100.00000000
+  24  1 862    4500.00000000    7867.18750000     100.00000000
+  25  1 862    4562.50000000    7820.31250000     100.00000000
+  26  1 862    4562.50000000    7835.93750000     100.00000000
+  27  1 862    4562.50000000    7851.56250000     100.00000000
+  28  1 862    4562.50000000    7867.18750000     100.00000000
+  29  1 862    4507.81250000    7812.50000000     100.00000000
+  30  1 862    4523.43750000    7812.50000000     100.00000000
+  31  1 862    4539.06250000    7812.50000000     100.00000000
+  32  1 862    4554.68750000    7812.50000000     100.00000000
+  33  1 862    4507.81250000    7875.00000000     100.00000000
+  34  1 862    4523.43750000    7875.00000000     100.00000000
+  35  1 862    4539.06250000    7875.00000000     100.00000000
+  36  1 862    4554.68750000    7875.00000000     100.00000000
+  37  1 892    4625.00000000    7632.81250000     100.00000000
+  38  1 892    4625.00000000    7648.43750000     100.00000000
+  39  1 892    4625.00000000    7664.06250000     100.00000000
+  40  1 892    4625.00000000    7679.68750000     100.00000000
+  41  1 892    4687.50000000    7632.81250000     100.00000000
+  42  1 892    4687.50000000    7648.43750000     100.00000000
+  43  1 892    4687.50000000    7664.06250000     100.00000000
+  44  1 892    4687.50000000    7679.68750000     100.00000000
+  45  1 892    4632.81250000    7625.00000000     100.00000000
+  46  1 892    4648.43750000    7625.00000000     100.00000000
+  47  1 892    4664.06250000    7625.00000000     100.00000000
+  48  1 892    4679.68750000    7625.00000000     100.00000000
+  49  1 892    4632.81250000    7687.50000000     100.00000000
+  50  1 892    4648.43750000    7687.50000000     100.00000000
+  51  1 892    4664.06250000    7687.50000000     100.00000000
+  52  1 892    4679.68750000    7687.50000000     100.00000000
+END packagedata
+
+BEGIN period  1
+  FIRST
+END period  1
+
diff --git a/flopy/modpath/mp7particledata.py b/flopy/modpath/mp7particledata.py
index 9da7e57490..95a9b204e6 100644
--- a/flopy/modpath/mp7particledata.py
+++ b/flopy/modpath/mp7particledata.py
@@ -316,19 +316,14 @@ def __init__(
         self.locationstyle = locationstyle
         self.particledata = particledata
 
-        return
-
     def write(self, f=None):
         """
+        Write the particle data to disk.
 
         Parameters
         ----------
         f : fileobject
             Fileobject that is open with write access
-
-        Returns
-        -------
-
         """
         # validate that a valid file object was passed
         if not hasattr(f, "write"):
@@ -358,7 +353,64 @@ def write(self, f=None):
         for v in d:
             f.write(fmt.format(*v))
 
-        return
+    def get_coord_list(self, grid):
+        """
+        Convert the particle representation to a list of global coordinates.
+
+        Returns
+        -------
+            A list of particle tuples (particle ID, x coord, y coord, z coord)
+        """
+
+        if grid.grid_type == "structured":
+            if not hasattr(self.particledata, "k"):
+                raise ValueError(
+                    f"Particle representation is not structured but grid is"
+                )
+
+            def to_x(p):
+                i, j = p[1], p[2]
+                local = p[4]
+                verts = grid.get_cell_vertices(i, j)
+                xs, _ = list(zip(*verts))
+                minx, maxx = min(xs), max(xs)
+                span = maxx - minx
+                return minx + span * local
+
+            def to_y(p):
+                i, j = p[1], p[2]
+                local = p[5]
+                verts = grid.get_cell_vertices(i, j)
+                _, ys = list(zip(*verts))
+                miny, maxy = min(ys), max(ys)
+                span = maxy - miny
+                return miny + span * local
+
+            def to_z(p):
+                k, i, j = p[0], p[1], p[2]
+                local = p[3]
+                minz, maxz = grid.botm[k, i, j], grid.top[i, j]
+                span = maxz - minz
+                return minz + span * local
+
+            pdl = self.particledata.tolist()
+            if hasattr(self.particledata, "id"):
+                ids = [p[0] for p in pdl]
+                particles = [r[1:7] for r in pdl]
+                return [
+                    (id, to_x(p), to_y(p), to_z(p))
+                    for id, p in zip(ids, particles)
+                ]
+            else:
+                particles = [r[0:6] for r in pdl]
+                return [(to_x(p), to_y(p), to_z(p)) for p in particles]
+        else:
+            if hasattr(self.particledata, "k"):
+                raise ValueError(
+                    f"Particle representation is structured but grid is not"
+                )
+
+            raise NotImplementedError()
 
     def _get_dtype(self, structured, particleid):
         """
@@ -824,6 +876,16 @@ def write(self, f=None):
 
         return
 
+    def to_list(self):
+        """
+        Convert the particle representation to a list of global coordinates.
+
+        Returns
+        -------
+            A list of particle tuples (particle ID, x coord, y coord, z coord)
+        """
+        pass
+
 
 class NodeParticleData:
     """
@@ -986,3 +1048,13 @@ def write(self, f=None):
             f.write(line)
 
         return
+
+    def to_list(self):
+        """
+        Convert the particle representation to a list of global coordinates.
+
+        Returns
+        -------
+            A list of particle tuples (particle ID, x coord, y coord, z coord)
+        """
+        pass