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Commit 203c8d0e authored by Conor Finn's avatar Conor Finn
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Fix EnggCalibrationTest using different values for gsl1

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Testing/SystemTests/tests/analysis/EnggCalibrationTest.py
+ 54
− 26
View file @ 203c8d0e
...@@ -255,34 +255,62 @@ class EnginXCalibrateFullThenCalibrateTest(systemtesting.MantidSystemTest): ...@@ -255,34 +255,62 @@ class EnginXCalibrateFullThenCalibrateTest(systemtesting.MantidSystemTest):
# Note that the reference values are given with 12 digits more for reference than # Note that the reference values are given with 12 digits more for reference than
# for assert-comparison purposes (comparisons are not that picky, by far) # for assert-comparison purposes (comparisons are not that picky, by far)
single_spectrum_delta = 5e-3 single_spectrum_delta = 5e-3
self.assertTrue(rel_err_less_delta(self.pos_table.cell(100, 3), 1.73157775402, single_spectrum_delta))
self.assertTrue(rel_err_less_delta(self.pos_table.cell(400, 4), 1.65264105797, single_spectrum_delta)) self.assertTrue(rel_err_less_delta(self.pos_table.cell(400, 4), 1.65264105797, single_spectrum_delta))
self.assertTrue(rel_err_less_delta(self.pos_table.cell(200, 5), -0.296705961227, single_spectrum_delta)) self.assertTrue(rel_err_less_delta(self.pos_table.cell(200, 5), -0.296705961227, single_spectrum_delta))
# DIFA column if systemtesting.using_gsl_v1(): # Different fitting for gsl_v1 (RHEL 7)
self.assertTrue(rel_err_less_delta(self.pos_table.cell(133, 7), -27.229156494, single_spectrum_delta)) self.assertTrue(rel_err_less_delta(self.pos_table.cell(100, 3), 1.73157775402, single_spectrum_delta))
# DIFC column # DIFA column
self.assertTrue(rel_err_less_delta(self.pos_table.cell(610, 8), 18684.5429688, single_spectrum_delta)) self.assertTrue(rel_err_less_delta(self.pos_table.cell(133, 7), -27.229156494, single_spectrum_delta))
# TZERO column # DIFC column
self.assertTrue(abs(self.pos_table.cell(1199, 9)) < 20) self.assertTrue(rel_err_less_delta(self.pos_table.cell(610, 8), 18684.5429688, single_spectrum_delta))
# TZERO column
# === check difc, zero parameters for GSAS produced by EnggCalibrate self.assertTrue(abs(self.pos_table.cell(1199, 9)) < 20)
# Bank 1
self.assertTrue(rel_err_less_delta(self.difa, 19.527099828, exdelta_special), # === check difc, zero parameters for GSAS produced by EnggCalibrate
"difa parameter for bank 1 is not what was expected, got: %f" % self.difa) # Bank 1
self.assertTrue(rel_err_less_delta(self.difc, 18383.536587, exdelta_special), self.assertTrue(rel_err_less_delta(self.difa, 19.527099828, exdelta_special),
"difc parameter for bank 1 is not what was expected, got: %f" % self.difc) "difa parameter for bank 1 is not what was expected, got: %f" % self.difa)
if "darwin" != sys.platform: self.assertTrue(rel_err_less_delta(self.difc, 18383.536587, exdelta_special),
self.assertTrue(abs(self.zero) < 40, "difc parameter for bank 1 is not what was expected, got: %f" % self.difc)
"zero parameter for bank 1 is not what was expected, got: %f" % self.zero) if "darwin" != sys.platform:
self.assertTrue(abs(self.zero) < 40,
# Bank 2 "zero parameter for bank 1 is not what was expected, got: %f" % self.zero)
self.assertTrue(rel_err_less_delta(self.difa_b2, -2.9592743210, exdelta_special),
"difa parameter for bank 2 is not what was expected, got: %f" % self.difa_b2) # Bank 2
self.assertTrue(rel_err_less_delta(self.difc_b2, 18401.514556, exdelta_special), self.assertTrue(rel_err_less_delta(self.difa_b2, -2.9592743210, exdelta_special),
"difc parameter for bank 2 is not what was expected, got: %f" % self.difc_b2) "difa parameter for bank 2 is not what was expected, got: %f" % self.difa_b2)
if "darwin" != sys.platform: self.assertTrue(rel_err_less_delta(self.difc_b2, 18401.514556, exdelta_special),
self.assertTrue(abs(self.zero_b2) < 20, "difc parameter for bank 2 is not what was expected, got: %f" % self.difc_b2)
"zero parameter for bank 2 is not what was expected, got: %f" % self.zero_b2) if "darwin" != sys.platform:
self.assertTrue(abs(self.zero_b2) < 20,
"zero parameter for bank 2 is not what was expected, got: %f" % self.zero_b2)
else:
self.assertTrue(rel_err_less_delta(self.pos_table.cell(100, 3), 1.68769443035, single_spectrum_delta))
# DIFA column
self.assertTrue(rel_err_less_delta(self.pos_table.cell(133, 7), -18.6453819275, single_spectrum_delta))
# DIFC column
self.assertTrue(rel_err_less_delta(self.pos_table.cell(610, 8), 18684.5429688, single_spectrum_delta))
# TZERO column
self.assertTrue(abs(self.pos_table.cell(1199, 9)) < 15)
# === check difc, zero parameters for GSAS produced by EnggCalibrate
# Bank 1
self.assertTrue(rel_err_less_delta(self.difa, 2.3265842459, exdelta_special),
"difa parameter for bank 1 is not what was expected, got: %f" % self.difa)
self.assertTrue(rel_err_less_delta(self.difc, 18440.5718578, exdelta_special),
"difc parameter for bank 1 is not what was expected, got: %f" % self.difc)
if "darwin" != sys.platform:
self.assertTrue(abs(self.zero) < 40,
"zero parameter for bank 1 is not what was expected, got: %f" % self.zero)
# Bank 2
self.assertTrue(rel_err_less_delta(self.difa_b2, 3.9220236519, exdelta_special),
"difa parameter for bank 2 is not what was expected, got: %f" % self.difa_b2)
self.assertTrue(rel_err_less_delta(self.difc_b2, 18382.7105215, exdelta_special),
"difc parameter for bank 2 is not what was expected, got: %f" % self.difc_b2)
if "darwin" != sys.platform:
self.assertTrue(abs(self.zero_b2) < 10,
"zero parameter for bank 2 is not what was expected, got: %f" % self.zero_b2)
# === peaks used to fit the difc and zero parameters === # === peaks used to fit the difc and zero parameters ===
expected_peaks = [1.1046, 1.3528, 1.5621, 1.6316, 2.7057] expected_peaks = [1.1046, 1.3528, 1.5621, 1.6316, 2.7057]
......
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