Merge branch 'develop' of https://github.com/wwPDB/py-wwpdb_utils_nmr …

…into develop

wwpdb/utils/nmr/__init__.py

@@ -2,4 +2,4 @@
 __author__ = "Ezra Peisach"
 __email__ = "ezra.peisach@rcsb.org"
 __license__ = "Apache 2.0"
-__version__ = "0.40"
+__version__ = "0.40.1"

wwpdb/utils/tests-nmr-tox/ImportTests.py

@@ -21,7 +21,7 @@
 from wwpdb.utils.nmr.NmrDpUtility import NmrDpUtility
 from wwpdb.utils.nmr.NmrDpReport import NmrDpReport
 # NmrStarToCif class has been deprecated
-# from wwpdb.utils.nmr.NmrStarToCif import NmrStarToCif
+from wwpdb.utils.nmr.NmrStarToCif import NmrStarToCif
 from wwpdb.utils.nmr.rci.RCI import RCI
 from wwpdb.utils.nmr.BMRBChemShiftStat import BMRBChemShiftStat
 
@@ -31,7 +31,7 @@ def testInstantiate(self):
         _c = NEFTranslator()  # noqa: F841
         _npu = NmrDpUtility()  # noqa: F841
         _ndp = NmrDpReport()  # noqa: F841
-        # _nstc = NmrStarToCif()  # noqa: F841
+        _nstc = NmrStarToCif()  # noqa: F841
         _rci = RCI()  # noqa: F841
         _bmrb = BMRBChemShiftStat()  # noqa: F841
 

wwpdb/utils/tests-nmr-tox/NmrStarToCifTests.py

@@ -0,0 +1,71 @@
+##
+# File: test_NmrStarToCif.py
+# Date:  02-Apr-2020  M. Yokochi
+#
+# Updates:
+# 20-Oct-2021  M. Yokochi - add unit test for case-sensitive saveframe name (DAOTHER-7398, 7407)
+#
+import unittest
+import os
+import sys
+from shutil import copyfile
+
+if __package__ is None or __package__ == "":
+    from os import path
+
+    sys.path.append(path.dirname(path.dirname(path.abspath(__file__))))
+    from commonsetup import TESTOUTPUT  # noqa:  F401 pylint: disable=import-error,unused-import
+else:
+    from .commonsetup import TESTOUTPUT  # noqa: F401 pylint: disable=relative-beyond-top-level
+
+from wwpdb.utils.nmr.NmrStarToCif import NmrStarToCif
+
+
+class TestNmrStarToCif(unittest.TestCase):
+    def setUp(self):
+        here = os.path.abspath(os.path.dirname(__file__))
+        self.data_dir_path = os.path.join(here, os.pardir, "tests-nmr", "mock-data")
+        self.nmrstar_to_cif = NmrStarToCif()
+
+    def tearDown(self):
+        pass
+
+    def test_unified(self):
+        strPath = os.path.join(self.data_dir_path, "D_800269_nmr-data-str_P1.str.V1")
+        outPath = os.path.join(TESTOUTPUT, "D_800269_nmr-data-str_P1.cif")
+        ret = self.nmrstar_to_cif.convert(strPath=strPath, cifPath=outPath, originalFileName="2png.nef")
+
+        self.assertTrue(ret)
+        self.assertTrue(os.path.isfile(outPath))
+
+    def test_legacy(self):
+        refPathIn = os.path.join(self.data_dir_path, "D_800262_cs-upload-convert_P1.cif.V1")
+        tempCif = os.path.join(TESTOUTPUT, "D_800262_cs-upload-convert_P1.cif.V8")
+        copyfile(refPathIn, tempCif)
+        ret = self.nmrstar_to_cif.clean(cifPath=tempCif, originalCsFileNameList=["D_800262_cs.str"])
+        self.assertTrue(ret)
+
+    def test_daother_5829(self):
+        refPathIn = os.path.join(self.data_dir_path, "D_800350_cs_P1.cif.V2")
+        tempCif = os.path.join(TESTOUTPUT, "D_800350_cs_P1.cif.V1")
+        copyfile(refPathIn, tempCif)
+        ret = self.nmrstar_to_cif.clean(cifPath=tempCif, originalCsFileNameList=["Ost4V23D.star"])
+        self.assertTrue(ret)
+
+    def test_D_1292117503(self):
+        strPath = os.path.join(self.data_dir_path, "D_800439_nmr-data-str_P1.str.V2")
+        cifPath = os.path.join(TESTOUTPUT, "D_800439_nmr-data-str_P1.cif.V2")
+        ret = self.nmrstar_to_cif.convert(strPath=strPath, cifPath=cifPath, originalFileName="KpbK.str")
+        self.assertTrue(ret)
+        self.assertTrue(os.path.isfile(cifPath))
+
+    def test_daother_7389(self):
+        strPath = os.path.join(self.data_dir_path, "D_800444_nmr-data-str-upload-convert_P1.str.V1")
+        cifPath = os.path.join(TESTOUTPUT, "D_800444_nmr-data-str-upload-convert_P1.cif.V1")
+        ret = self.nmrstar_to_cif.convert(strPath=strPath, cifPath=cifPath, originalFileName="kbpk_letterCaseTest.nef")
+        self.assertTrue(ret)
+        self.assertTrue(os.path.isfile(cifPath))
+
+
+if __name__ == "__main__":
+    unittest.main()