@@ -49,15 +49,15 @@ def test_co_basics():
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assert tbl ['Q1' ][10 ] == 11
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assert tbl ['Q7' ][10 ] == 10
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assert tbl ['MOLWT' ][0 ] == 28
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- assert tbl ['TAG' ][0 ] == 28503
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+ assert tbl ['TAG' ][0 ] == - 28503
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@pytest .mark .remote_data
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def test_ch3cn_negqn ():
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tbl = CDMS .get_molecule ('041501' )
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fourtominusthree = tbl [(tbl ['Q1' ] == 4 ) & (tbl ['Q2' ] == - 3 )]
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assert len (fourtominusthree ) >= 1
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- assert tbl ['TAG' ][0 ] == 41501
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+ assert tbl ['TAG' ][0 ] == - 41501
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@pytest .mark .remote_data
@@ -103,16 +103,16 @@ def test_molecule_with_parens():
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MC = np .ma .core .MaskedConstant ()
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- for col , val in zip (tbl [0 ].colnames , (232588.7246 , 0.2828 , - 4.1005 , 3 , 293.8540 , 445 , 66 ,
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- 506 , 303 , 44 , 14 , 30 , MC , MC , MC , 45 , 13 , 33 , MC , MC , MC , 'H2C(CN)2' , False )):
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+ for col , val in zip (tbl [0 ].colnames , (232588.7246 , 0.2828 , - 4.1005 , 3 , 293.8540 , 445 , 66506 ,
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+ 303 , 44 , 14 , 30 , MC , MC , MC , 45 , 13 , 33 , MC , MC , MC , 'H2C(CN)2' , 66 , False )):
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if val is MC :
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assert tbl [0 ][col ].mask
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else :
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assert tbl [0 ][col ] == val
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# this test row includes degeneracy = 1225, which covers one of the weird letter-is-number parser cases
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- for col , val in zip (tbl [16 ].colnames , (233373.369 , 10.26 , - 4.8704 , 3 , 1229.0674 , 1125 , 66 ,
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- 506 , 303 , 112 , 10 , 102 , MC , MC , MC , 112 , 9 , 103 , MC , MC , MC , 'H2C(CN)2' , False ),):
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+ for col , val in zip (tbl [16 ].colnames , (233373.369 , 10.26 , - 4.8704 , 3 , 1229.0674 , 1125 , 66506 ,
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+ 303 , 112 , 10 , 102 , MC , MC , MC , 112 , 9 , 103 , MC , MC , MC , 'H2C(CN)2' , 66 , False ),):
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if val is MC :
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assert tbl [16 ][col ].mask
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else :
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