Remove all used print() statements.

hexrd/core/instrument/hedm_instrument.py

@@ -2257,7 +2257,7 @@ def __init__(self, filename):
             self.fid = filename
         else:
             self.fid = open(filename, 'w')
-        print(self._header, file=self.fid)
+        self.fid.write(self._header + '\n')
 
     def __del__(self):
         self.close()
@@ -2294,7 +2294,7 @@ def dump_patch(
                 self._delim.join(np.tile('{:<23.16e}', 10)).format(*res[7:]),
             ]
         )
-        print(output_str, file=self.fid)
+        self.fid.write(output_str + '\n')
         return output_str
 
 
@@ -2349,7 +2349,7 @@ def __init__(self, filename=None, array=None):
             self.fid = filename
         else:
             self.fid = open(filename, 'w')
-        print(self._header, file=self.fid)
+        self.fid.write(self._header + '\n')
 
     def __del__(self):
         self.close()
@@ -2385,7 +2385,7 @@ def dump_grain(self, grain_id, completeness, chisq, grain_params):
                 self._delim.join(np.tile('{:<23.16e}', len(res) - 3)).format(*res[3:]),
             ]
         )
-        print(output_str, file=self.fid)
+        self.fid.write(output_str + '\n')
         return output_str
 
 

hexrd/core/material/material.py

@@ -1562,26 +1562,3 @@ def get_hkl_strings(pdata):
         'return_indices': True,
     }
     return np.intersect1d(**kwargs)[1:]
-
-
-#
-#  ============================== Executable section for testing
-#
-
-
-if __name__ == '__main__':
-    #
-    #  For testing
-    #
-    import sys
-
-    if len(sys.argv) == 1:
-        print("need argument:  materials.cfg")
-        sys.exit()
-
-    ml = loadMaterialList(sys.argv[1])
-
-    print('MATERIAL LIST\n')
-    print(('   from file:  ', sys.argv[1]))
-    for m in ml:
-        print(m)

hexrd/core/material/symbols.py

@@ -220,13 +220,15 @@ def PrintPossibleSG(xtal_sys):
         sgmax = 2
         sgmin = 1
 
+    line = ""
     for i in range(sgmin, sgmax + 1):
         j = i - sgmin + 1
-        pstr = f'{i}:{pstr_spacegroup[i - 1]}\t'
+        pstr = f"{i}:{pstr_spacegroup[i - 1]}\t"
+        line += pstr
+
         if j % 4 == 0 or j == sgmax:
-            print(pstr)
-        else:
-            print(pstr, end='')
+            logger.info(line.rstrip())
+            line = ""
 
     return sgmin, sgmax
 

hexrd/core/valunits.py

@@ -34,7 +34,6 @@
 
 """
 
-import doctest
 import math
 
 import numpy as np
@@ -308,31 +307,3 @@ def _degrees(x: float) -> valWUnit:
 
 # Function alias
 _angstroms = _angstrom
-
-if __name__ == '__main__':  # pragma: no cover
-    #
-    #  doc testing
-    #
-    print("running doctest")
-    doctest.testmod()
-
-    #
-    #  other tests
-    #
-    def testConversions():
-        print('===== Testing unit conversions ...')
-        print('..... angles:')
-        v = valWUnit('180d', 'angle', 180.0, 'degrees')
-        print(v)
-        print(('   in degrees:', v.getVal('degrees')))
-        print(('   in radians: ', v.getVal('radians')))
-
-        print('..... lengths:')
-        ulist = ['m', 'mm', 'meter', 'angstrom']
-        v = valWUnit('one meter', 'length', 1.0, 'meter')
-        print(v)
-        for u in ulist:
-            print(('   in ', u, ': ', v.getVal(u)))
-        return
-
-    testConversions()

scripts/install/install_build_dependencies.py

@@ -183,5 +183,4 @@ def install(library, destination):
     library = sys.argv[1]
     destination = sys.argv[2]
 
-    print(f'Installing "{library}" to "{destination}"')
     install(library, destination)

tests/test_fit-grains.py

@@ -7,14 +7,12 @@
 import pytest
 import coloredlogs
 
-
+from hexrd.core import matrixutil as mutil
+from hexrd.core import rotations as rot
 from hexrd.hedm import config
 from hexrd.hedm.fitgrains import fit_grains
 
 
-from fit_grains_check import compare_grain_fits
-
-
 logger = logging.getLogger(__name__)
 logger.setLevel(logging.INFO)
 
@@ -73,6 +71,68 @@ def test_config(single_ge_config_path, single_ge_include_path):
 
     return conf
 
+def compare_grain_fits(
+    fit_grain_params, ref_grain_params, mtol=1.0e-4, ctol=1.0e-3, vtol=1.0e-4
+):
+    """
+    Executes comparison between reference and fit grain parameters for ff-HEDM
+    for the same initial parameters.
+
+    Parameters
+    ----------
+    fit_grain_params : array_like, (n, 12)
+        The fit grain parameters to be tested.
+    ref_grain_params : array_like, (n, 12)
+        The reference grain parameters (see Notes below).
+
+    Returns
+    -------
+    bool
+        True is successful comparison
+
+    Notes
+    -----
+    The fitgrains action currently returns
+        grain_id, completeness, chisq, grain_params.
+    We will have to assume that the grain_ids are in the *same order* as the
+    reference, which can be enforces by running the comparison using the
+    reference orientation list.
+    """
+    fit_grain_params = np.atleast_2d(fit_grain_params)
+    ref_grain_params = np.atleast_2d(ref_grain_params)
+    cresult = False
+    ii = 0
+    for fg, rg in zip(fit_grain_params, ref_grain_params):
+        # test_orientation
+        quats = rot.quatOfExpMap(np.vstack([fg[:3], rg[:3]]).T)
+        ang, mis = rot.misorientation(
+            quats[:, 0].reshape(4, 1), quats[:, 1].reshape(4, 1)
+        )
+        if ang <= mtol:
+            cresult = True
+        else:
+            logger.warning(f"orientations for grain {ii} do not agree.")
+            return cresult
+
+        # test position
+        if np.linalg.norm(fg[3:6] - rg[3:6]) > ctol:
+            logger.warning(f"centroidal coordinates for grain {ii} do not agree.")
+            return False
+
+        # test strain
+        vmat_fit = mutil.symmToVecMV(
+            np.linalg.inv(mutil.vecMVToSymm(fg[6:])), scale=False
+        )
+        vmat_ref = mutil.symmToVecMV(
+            np.linalg.inv(mutil.vecMVToSymm(rg[6:])), scale=False
+        )
+        if np.linalg.norm(vmat_fit - vmat_ref, ord=1) > vtol:
+            logger.warning(f"stretch components for grain {ii} do not agree.")
+            return False
+
+        # index grain id
+        ii += 1
+    return cresult
 
 def test_fit_grains(
     single_ge_include_path,