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test fixes
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lpratalimaffei committed Oct 25, 2024
1 parent c8d33d0 commit dd5ab5d
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2 changes: 1 addition & 1 deletion chemkin_io/tests/test__mechanism_write_read.py
Original file line number Diff line number Diff line change
Expand Up @@ -81,7 +81,7 @@ def test_thermo_block():
"""
thermo_block_good = mechanism.thermo_block(THERMO_BLOCK_GOOD)
thermo_block_bad = mechanism.thermo_block(THERMO_BLOCK_BAD)
assert thermo_block_good == '\nC7H15OOH-1\n'
assert thermo_block_good == '\nC7H15OOH-1'
assert thermo_block_bad is None


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2 changes: 1 addition & 1 deletion chemkin_io/tests/test__reactions_read.py
Original file line number Diff line number Diff line change
Expand Up @@ -98,7 +98,7 @@ def test_cmts():
def test_rxn_strs():
""" Test reaction string dictionary from file
"""
check_one = ['C4H2+C6H5=C10H7 5.000E+12 0.000 5000.00 \! LPM 01-21-2021 UPDATE C3 ! DUPLICATE CAUSE THERE WERE 2 DIFFERENT RADICALS OF C10H7; HPLIM IS OLD CRECK !lumped C10H8tyl as CRECK \nPLOG / 0.01\t1.25E+88\t-21.83\t48863/\t!800-1700\nPLOG / 0.1\t1.54E+81\t-19.48\t50784/\t!800-1800\nPLOG / 1\t1.28E+76\t-17.68\t55146/\t!800-2000\nPLOG / 10\t2.22E+58\t-12.44\t49974/\t!800-2500\nPLOG / 100\t1.02E+35\t-5.809\t39347/\t!800-2500\nDUPLICATE',
check_one = ['C4H2+C6H5=C10H7 5.000E+12 0.000 5000.00 ! LPM 01-21-2021 UPDATE C3 ! DUPLICATE CAUSE THERE WERE 2 DIFFERENT RADICALS OF C10H7; HPLIM IS OLD CRECK !lumped C10H8tyl as CRECK \nPLOG / 0.01\t1.25E+88\t-21.83\t48863/\t!800-1700\nPLOG / 0.1\t1.54E+81\t-19.48\t50784/\t!800-1800\nPLOG / 1\t1.28E+76\t-17.68\t55146/\t!800-2000\nPLOG / 10\t2.22E+58\t-12.44\t49974/\t!800-2500\nPLOG / 100\t1.02E+35\t-5.809\t39347/\t!800-2500\nDUPLICATE',
'C4H2+C6H5=C10H7 5.00E+12 0.000 5000.00 !2-naphthyl\nPLOG / 0.01\t1.83E+87\t-21.56\t48728/\nPLOG / 0.1\t4.57E+85\t-20.72\t54421/\nPLOG / 1\t7.82E+72\t-16.75\t53604/\nPLOG / 10\t3.74E+63\t-13.83\t55912/\nPLOG / 100\t2.55E+45\t-8.515\t52892/\nDUPLICATE\n\n!#[REACTIONCLASS][A1-R][ADD_C4.TT-M]\n!#[ENDREACTIONCLASS][A1-R][ADD_C4.TT-M]']
ckin_str = ioformat.pathtools.read_file(DAT_PATH, 'pah_block.dat')
rxn_strs_dct = get_rxn_strs_dct(ckin_str)
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