From 20be875219ce99d4776d7282be95d263f16d69e4 Mon Sep 17 00:00:00 2001
From: Arrielle Opotowsky <c-aopotowsky@terrapower.com>
Date: Fri, 16 Jun 2023 22:39:59 -0500
Subject: [PATCH] Add DIF3D Reader to CCCC (#1309)

---
 MANIFEST.in                                   |   1 +
 armi/nuclearDataIO/__init__.py                |   1 +
 armi/nuclearDataIO/cccc/dif3d.py              | 215 ++++++++++++++++++
 .../cccc/tests/fixtures/simple_hexz.dif3d     | Bin 0 -> 588 bytes
 armi/nuclearDataIO/cccc/tests/test_dif3d.py   | 162 +++++++++++++
 armi/physics/neutronics/__init__.py           |   1 +
 6 files changed, 380 insertions(+)
 create mode 100644 armi/nuclearDataIO/cccc/dif3d.py
 create mode 100644 armi/nuclearDataIO/cccc/tests/fixtures/simple_hexz.dif3d
 create mode 100644 armi/nuclearDataIO/cccc/tests/test_dif3d.py

diff --git a/MANIFEST.in b/MANIFEST.in
index b95de935e..25454e9b0 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -5,6 +5,7 @@ include armi/nuclearDataIO/cccc/tests/fixtures/mc2v3.dlayxs
 include armi/nuclearDataIO/cccc/tests/fixtures/simple_cartesian.pwdint
 include armi/nuclearDataIO/cccc/tests/fixtures/simple_cartesian.rtflux
 include armi/nuclearDataIO/cccc/tests/fixtures/simple_cartesian.rzflux
+include armi/nuclearDataIO/cccc/tests/fixtures/simple_hexz.dif3d
 include armi/nuclearDataIO/cccc/tests/fixtures/simple_hexz.geodst
 include armi/nuclearDataIO/cccc/tests/fixtures/simple_hexz.nhflux
 include armi/nuclearDataIO/tests/fixtures/AA.gamiso
diff --git a/armi/nuclearDataIO/__init__.py b/armi/nuclearDataIO/__init__.py
index bcc7bc9db..885e44a6d 100644
--- a/armi/nuclearDataIO/__init__.py
+++ b/armi/nuclearDataIO/__init__.py
@@ -23,6 +23,7 @@
 # though prefer full imports in new code
 from .cccc import (
     compxs,
+    dif3d,
     dlayxs,
     fixsrc,
     gamiso,
diff --git a/armi/nuclearDataIO/cccc/dif3d.py b/armi/nuclearDataIO/cccc/dif3d.py
new file mode 100644
index 000000000..2625fddc2
--- /dev/null
+++ b/armi/nuclearDataIO/cccc/dif3d.py
@@ -0,0 +1,215 @@
+# Copyright 2023 TerraPower, LLC
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+"""
+Module for reading from and writing to DIF3D files, which are module dependent
+binary inputs for the DIF3D code.
+"""
+
+from armi import runLog
+from armi.nuclearDataIO import cccc
+
+
+FILE_SPEC_2D_PARAMS = (
+    [
+        "IPROBT",
+        "ISOLNT",
+        "IXTRAP",
+        "MINBSZ",
+        "NOUTMX",
+        "IRSTRT",
+        "LIMTIM",
+        "NUPMAX",
+        "IOSAVE",
+        "IOMEG1",
+        "INRMAX",
+        "NUMORP",
+        "IRETRN",
+    ]
+    + [f"IEDF{e}" for e in range(1, 11)]
+    + [
+        "NOUTBQ",
+        "I0FLUX",
+        "NOEDIT",
+        "NOD3ED",
+        "ISRHED",
+        "NSN",
+        "NSWMAX",
+        "NAPRX",
+        "NAPRXZ",
+        "NFMCMX",
+        "NXYSWP",
+        "NZSWP",
+        "ISYMF",
+        "NCMRZS",
+        "ISEXTR",
+        "NPNO",
+        "NXTR",
+        "IOMEG2",
+        "IFULL",
+        "NVFLAG",
+        "ISIMPL",
+        "IWNHFL",
+        "IPERT",
+        "IHARM",
+    ]
+)
+
+FILE_SPEC_3D_PARAMS = [
+    "EPS1",
+    "EPS2",
+    "EPS3",
+    "EFFK",
+    "FISMIN",
+    "PSINRM",
+    "POWIN",
+    "SIGBAR",
+    "EFFKQ",
+    "EPSWP",
+] + [f"DUM{e}" for e in range(1, 21)]
+
+TITLE_RANGE = 11
+
+
+class Dif3dData(cccc.DataContainer):
+    def __init__(self):
+        cccc.DataContainer.__init__(self)
+
+        self.twoD = {e: None for e in FILE_SPEC_2D_PARAMS}
+        self.threeD = {e: None for e in FILE_SPEC_3D_PARAMS}
+        self.fourD = None
+        self.fiveD = None
+
+
+class Dif3dStream(cccc.StreamWithDataContainer):
+    @staticmethod
+    def _getDataContainer() -> Dif3dData:
+        return Dif3dData()
+
+    def _rwFileID(self) -> None:
+        """
+        Record for file identification information.
+
+        The parameters are stored as a dictionary under the attribute `metadata`.
+        """
+        with self.createRecord() as record:
+            for param in ["HNAME", "HUSE1", "HUSE2"]:
+                self._metadata[param] = record.rwString(self._metadata[param], 8)
+            self._metadata["VERSION"] = record.rwInt(self._metadata["VERSION"])
+
+    def _rw1DRecord(self) -> None:
+        """
+        Record for problem title, storage, and dump specifications.
+
+        The parameters are stored as a dictionary under the attribute `metadata`.
+        """
+        with self.createRecord() as record:
+            for i in range(TITLE_RANGE):
+                param = f"TITLE{i}"
+                self._metadata[param] = record.rwString(self._metadata[param], 8)
+            self._metadata["MAXSIZ"] = record.rwInt(self._metadata["MAXSIZ"])
+            self._metadata["MAXBLK"] = record.rwInt(self._metadata["MAXBLK"])
+            self._metadata["IPRINT"] = record.rwInt(self._metadata["IPRINT"])
+
+    def _rw2DRecord(self) -> None:
+        """
+        Record for DIF3D integer control parameters.
+
+        The parameters are stored as a dictionary under the attribute `twoD`.
+        """
+        with self.createRecord() as record:
+            for param in FILE_SPEC_2D_PARAMS:
+                self._data.twoD[param] = record.rwInt(self._data.twoD[param])
+
+    def _rw3DRecord(self) -> None:
+        """
+        Record for convergence criteria and other sundry floating point data (such as
+        k-effective).
+
+        The parameters are stored as a dictionary under the attribute `threeD`.
+        """
+        with self.createRecord() as record:
+            for param in FILE_SPEC_3D_PARAMS:
+                self._data.threeD[param] = record.rwDouble(self._data.threeD[param])
+
+    def _rw4DRecord(self) -> None:
+        """
+        Record for the optimum overrelaxation factors. This record is only present when
+        using DIF3D-FD and if `NUMORP` is greater than 0.
+
+        The parameters are stored as a dictionary under the attribute `fourD`. This
+        could be changed into a list in the future since this record represents groupwise
+        data.
+        """
+        if self._data.twoD["NUMORP"] != 0:
+            omegaParams = [f"OMEGA{e}" for e in range(1, self._data.twoD["NUMORP"] + 1)]
+
+            with self.createRecord() as record:
+                # Initialize the record if we're reading
+                if self._data.fourD is None:
+                    self._data.fourD = {omegaParam: None for omegaParam in omegaParams}
+
+                for omegaParam in omegaParams:
+                    self._data.fourD[omegaParam] = record.rwDouble(
+                        self._data.fourD[omegaParam]
+                    )
+
+    def _rw5DRecord(self) -> None:
+        """
+        Record for the axial coarse mesh rebalancing boundaries. Coarse mesh balancing is
+        disabled in DIF3D-VARIANT, so this record is only relevant for DIF3D-Nodal. This
+        record is only present if `NCMRZS` is greater than 0.
+
+        The parameters are stored as a dictionary under the attribute `fiveD`.
+        """
+        if self._data.twoD["NCMRZS"] != 0:
+            zcmrcParams = [f"ZCMRC{e}" for e in range(1, self._data.twoD["NCMRZS"] + 1)]
+            nzintsParams = [
+                f"NZINTS{e}" for e in range(1, self._data.twoD["NCMRZS"] + 1)
+            ]
+
+            with self.createRecord() as record:
+                # Initialize the record if we're reading
+                if self._data.fiveD is None:
+                    self._data.fiveD = {zcmrcParam: None for zcmrcParam in zcmrcParams}
+                    self._data.fiveD.update(
+                        {nzintsParam: None for nzintsParam in nzintsParams}
+                    )
+
+                for zcmrcParam in zcmrcParams:
+                    self._data.fiveD[zcmrcParam] = record.rwDouble(
+                        self._data.fiveD[zcmrcParam]
+                    )
+                for nzintsParam in nzintsParams:
+                    self._data.fiveD[nzintsParam] = record.rwInt(
+                        self._data.fiveD[nzintsParam]
+                    )
+
+    def readWrite(self):
+        """Reads or writes metadata and data from 5 records"""
+        msg = f"{'Reading' if 'r' in self._fileMode else 'Writing'} DIF3D binary data {self}"
+        runLog.info(msg)
+
+        self._rwFileID()
+        self._rw1DRecord()
+        self._rw2DRecord()
+        self._rw3DRecord()
+        self._rw4DRecord()
+        self._rw5DRecord()
+
+
+readBinary = Dif3dStream.readBinary
+readAscii = Dif3dStream.readAscii
+writeBinary = Dif3dStream.writeBinary
+writeAscii = Dif3dStream.writeAscii
diff --git a/armi/nuclearDataIO/cccc/tests/fixtures/simple_hexz.dif3d b/armi/nuclearDataIO/cccc/tests/fixtures/simple_hexz.dif3d
new file mode 100644
index 0000000000000000000000000000000000000000..0e3df7dd904ee51a5697e19d03958eecd896b99f
GIT binary patch
literal 588
zcmb1PU|?|ZbTf8QzyypyIT;{M0b-y6kJJhU1>Goxl6;`j^whl6qC^FSl2iph4>tt`
zpU?<}v`htsoK#G6@QDbhGcY)mO9O3y*s}-BLJ%N%IT-iUENfO68%P^L*&ug<Ffzyk
za=3sP<aTs9WOXn$NUa7CE5HPRG!qh=SSHB*AAs0n{hnE$u2<Q8%y`_f^~V!9&Ad}h
u<88$a`#&o`Uh+)}u&)+b=l-y2i9N*p4^SG#wg->Qq_ByjC>m%E$j<<ym_0K9

literal 0
HcmV?d00001

diff --git a/armi/nuclearDataIO/cccc/tests/test_dif3d.py b/armi/nuclearDataIO/cccc/tests/test_dif3d.py
new file mode 100644
index 000000000..7be5f55a4
--- /dev/null
+++ b/armi/nuclearDataIO/cccc/tests/test_dif3d.py
@@ -0,0 +1,162 @@
+# Copyright 2023 TerraPower, LLC
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+"""Test reading/writing of DIF3D binary input."""
+
+import os
+import unittest
+
+from armi.nuclearDataIO.cccc import dif3d
+from armi.utils.directoryChangers import TemporaryDirectoryChanger
+
+THIS_DIR = os.path.dirname(__file__)
+
+SIMPLE_HEXZ_INP = os.path.join(THIS_DIR, "../../tests", "simple_hexz.inp")
+SIMPLE_HEXZ_DIF3D = os.path.join(THIS_DIR, "fixtures", "simple_hexz.dif3d")
+
+
+class TestDif3dSimpleHexz(unittest.TestCase):
+    @classmethod
+    def setUpClass(cls):
+        """
+        Load DIF3D data from binary file. This binary file was generated by running
+        dif3d.exe v11.0r3284 on the SIMPLE_HEXZ_INP file above (and renaming the DIF3D
+        binary file to simple_hexz.dif3d).
+        """
+        cls.df = dif3d.Dif3dStream.readBinary(SIMPLE_HEXZ_DIF3D)
+
+    def test__rwFileID(self):
+        """Verify the file identification info."""
+        self.assertEqual(self.df.metadata["HNAME"], "DIF3D")
+        self.assertEqual(self.df.metadata["HUSE1"], "")
+        self.assertEqual(self.df.metadata["HUSE2"], "")
+        self.assertEqual(self.df.metadata["VERSION"], 1)
+
+    def test__rwFile1DRecord(self):
+        """Verify the rest of the metadata"""
+        TITLE_A6 = ["3D Hex", "-Z to", "genera", "te NHF", "LUX fi", "le"]
+        EXPECTED_TITLE = TITLE_A6 + [""] * 5
+        for i in range(dif3d.TITLE_RANGE):
+            self.assertEqual(self.df.metadata[f"TITLE{i}"], EXPECTED_TITLE[i])
+        self.assertEqual(self.df.metadata["MAXSIZ"], 10000)
+        self.assertEqual(self.df.metadata["MAXBLK"], 1800000)
+        self.assertEqual(self.df.metadata["IPRINT"], 0)
+
+    def test__rw2DRecord(self):
+        """Verify the control parameters"""
+        EXPECTED_2D = [
+            0,
+            0,
+            0,
+            10000,
+            30,
+            0,
+            1000000000,
+            5,
+            0,
+            0,
+            50,
+            0,
+            1,
+            1,
+            0,
+            0,
+            0,
+            110,
+            10,
+            100,
+            1,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            10,
+            40,
+            32,
+            0,
+            0,
+            2,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+            0,
+        ]
+        for i, param in enumerate(dif3d.FILE_SPEC_2D_PARAMS):
+            self.assertEqual(self.df.twoD[param], EXPECTED_2D[i])
+
+    def test__rw3DRecord(self):
+        """Verify the convergence criteria and other floating point data"""
+        EXPECTED_3D = [
+            1e-7,
+            1e-5,
+            1e-5,
+            3.823807613470224e-01,
+            1e-3,
+            4e-2,
+            1e0,
+            0e0,
+            0e0,
+            9.999999747378752e-05,
+        ] + [0.0 for i in range(1, 21)]
+        for i, param in enumerate(dif3d.FILE_SPEC_3D_PARAMS):
+            self.assertEqual(self.df.threeD[param], EXPECTED_3D[i])
+
+    def test__rw4DRecord(self):
+        """Verify the optimum overrelaxation factors"""
+        self.assertEqual(self.df.fourD, None)
+
+    def test__rw5DRecord(self):
+        """Verify the axial coarse-mesh rebalance boundaries"""
+        self.assertEqual(self.df.fiveD, None)
+
+    def test_writeBinary(self):
+        """Verify binary equivalence of written DIF3D file."""
+        with TemporaryDirectoryChanger():
+            dif3d.Dif3dStream.writeBinary(self.df, "DIF3D2")
+            with open(SIMPLE_HEXZ_DIF3D, "rb") as f1, open("DIF3D2", "rb") as f2:
+                expectedData = f1.read()
+                actualData = f2.read()
+            for expected, actual in zip(expectedData, actualData):
+                self.assertEqual(expected, actual)
+
+
+class TestDif3dEmptyRecords(unittest.TestCase):
+    def test_empty4and5Records(self):
+        """Since the inputs results in these being None, get test coverage another way"""
+        df = dif3d.Dif3dStream.readBinary(SIMPLE_HEXZ_DIF3D)
+        # Hack some values that allow 4 and 5 records to be populated \
+        # and then populate them
+        df.twoD["NUMORP"] = 1
+        df.twoD["NCMRZS"] = 1
+        df.fourD = {"OMEGA1": 1.0}
+        df.fiveD = {"ZCMRC1": 1.0, "NZINTS1": 10}
+        with TemporaryDirectoryChanger():
+            # Write then read a new one
+            dif3d.Dif3dStream.writeBinary(df, "DIF3D2")
+            df2 = dif3d.Dif3dStream.readBinary("DIF3D2")
+            # Kinda a null test, but this coverage caught some code mistakes!
+            self.assertEqual(df2.fourD, df.fourD)
+            self.assertEqual(df2.fiveD, df.fiveD)
diff --git a/armi/physics/neutronics/__init__.py b/armi/physics/neutronics/__init__.py
index e4b35155a..89c1e6ed9 100644
--- a/armi/physics/neutronics/__init__.py
+++ b/armi/physics/neutronics/__init__.py
@@ -141,6 +141,7 @@ def getReportContents(r, cs, report, stage, blueprint):
 PMATRX_EXT = "pmatrx"
 GAMISO_EXT = "gamiso"
 ISOTXS = "ISOTXS"
+DIF3D = "DIF3D"
 
 # Constants for neutronics calculation types
 ADJOINT_CALC = "adjoint"