added testing that checks for similarity with data read n via nmrpipe

tests/test_jeol.py

@@ -1,17 +1,110 @@
-""" Tests for the fileio.jeol submodule """
+"""Tests for the fileio.jeol submodule"""
 
-
-import tempfile
 import os
-import shutil
-from pathlib import Path
 
 import numpy as np
-from numpy.testing import assert_array_equal
 import nmrglue as ng
 
 from setup import DATA_DIR
+JEOLDATA = os.path.join(DATA_DIR, "jeol")
+
+
+def test_1d_real():
+    """data with a real dimension"""
+
+    pass
+
+
+def test_1d_complex_1():
+    """data with a complex dimension"""
+
+    basename = "cyclosporine_Carbon-1-1"
+    jdic, jdata = ng.jeol.read(os.path.join(JEOLDATA, f"{basename}.jdf"))
+    pdic, pdata = ng.pipe.read(os.path.join(JEOLDATA, f"{basename}.fid"))
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
+
+def test_1d_complex_2():
+    """data with a complex dimension"""
+
+    basename = "cyclosporine_Proton-1-1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
+
+def test_1d_complex_3():
+    """data with a complex dimension"""
+
+    basename = "2mM sucrose_WATERGATE-3-1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
+
+def test_1d_complex_4():
+    """data with a complex dimension"""
+
+    basename = "2-ethyl-1-indanone 1_PROTON-21-1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
+
+def test_2d_rr():
+    """data with two real dimensions"""
+
+    pass
+
+
+def test_2d_cc_1():
+    """data with two complex dimensions"""
+
+    basename = "cyclosporine_tocsy-1-1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
+
+def test_2d_cc_2():
+    """data with two complex dimensions"""
+
+    basename = "cyclosporine_HSQC-1-1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
+
+def test_2d_cc_nus():
+    """NUS data with two complex dimensions"""
+
+    basename = "2-ethyl-1-indanone 1_HSQC_NUS-3-1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
+
+def test_2d_rc_nus():
+    """NUS data with two real_complex dimensions"""
+    basename = "2-ethyl-1-indanone 1_HMBC_NUS-2-1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
+
+def test_2d_rc():
+    """data with two real_complex dimensions"""
+
+    basename = "cyclosporine_dqf_cosy_pfg-1-1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)
+
 
+def test_2d_cr():
+    """data with one complex dimension and one real dimension (example: 1d optimization)"""
 
-def test_parse():
-    pass
+    basename = "jeol-2d_1"
+    jdic, jdata = ng.jeol.read(f"{JEOLDATA}/{basename}.jdf")
+    pdic, pdata = ng.pipe.read(f"{JEOLDATA}/{basename}.fid")
+    assert np.allclose(jdata, pdata, rtol=1e-7)