Dlux804 / McQuade-Chem-ML

Development of easy to use and reproducible ML scripts for chemistry.
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Testing #22

Closed qle2 closed 4 years ago

qle2 commented 4 years ago

@Dlux804 I would like to discuss the different tests that you and I have and decide on what we would like to keep. @andreshyer I would like you to look at your code and decide if you would like me to build tests for them.

pep8speaks commented 4 years ago

Hello @qle2! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 33:80: E501 line too long (82 > 79 characters) Line 40:80: E501 line too long (91 > 79 characters) Line 44:80: E501 line too long (93 > 79 characters) Line 46:80: E501 line too long (97 > 79 characters)

Line 76:9: E265 block comment should start with '# ' Line 76:9: E303 too many blank lines (2) Line 77:80: E501 line too long (92 > 79 characters) Line 78:1: W293 blank line contains whitespace Line 80:80: E501 line too long (126 > 79 characters) Line 143:1: E303 too many blank lines (3) Line 143:80: E501 line too long (87 > 79 characters)

Line 3:10: E401 multiple imports on one line Line 16:1: E402 module level import not at top of file Line 18:1: E402 module level import not at top of file Line 23:80: E501 line too long (111 > 79 characters) Line 24:80: E501 line too long (87 > 79 characters) Line 34:80: E501 line too long (96 > 79 characters) Line 36:80: E501 line too long (118 > 79 characters) Line 44:80: E501 line too long (121 > 79 characters) Line 45:80: E501 line too long (92 > 79 characters) Line 51:80: E501 line too long (119 > 79 characters) Line 65:80: E501 line too long (116 > 79 characters) Line 67:80: E501 line too long (120 > 79 characters) Line 94:80: E501 line too long (114 > 79 characters) Line 100:80: E501 line too long (111 > 79 characters) Line 115:80: E501 line too long (112 > 79 characters) Line 117:80: E501 line too long (120 > 79 characters) Line 118:80: E501 line too long (119 > 79 characters) Line 119:80: E501 line too long (87 > 79 characters) Line 124:80: E501 line too long (111 > 79 characters) Line 133:80: E501 line too long (111 > 79 characters) Line 135:80: E501 line too long (120 > 79 characters) Line 136:80: E501 line too long (119 > 79 characters) Line 137:80: E501 line too long (87 > 79 characters) Line 142:80: E501 line too long (119 > 79 characters) Line 144:35: W292 no newline at end of file

Line 4:10: E401 multiple imports on one line Line 23:80: E501 line too long (109 > 79 characters) Line 27:80: E501 line too long (120 > 79 characters) Line 38:80: E501 line too long (103 > 79 characters) Line 47:80: E501 line too long (120 > 79 characters) Line 62:32: E712 comparison to True should be 'if cond is True:' or 'if cond:' Line 64:1: E302 expected 2 blank lines, found 1 Line 66:80: E501 line too long (90 > 79 characters) Line 76:80: E501 line too long (106 > 79 characters) Line 80:80: E501 line too long (113 > 79 characters) Line 82:80: E501 line too long (84 > 79 characters) Line 84:80: E501 line too long (84 > 79 characters) Line 86:80: E501 line too long (86 > 79 characters) Line 88:80: E501 line too long (84 > 79 characters) Line 90:80: E501 line too long (84 > 79 characters) Line 92:1: E302 expected 2 blank lines, found 1 Line 94:80: E501 line too long (97 > 79 characters) Line 107:80: E501 line too long (118 > 79 characters) Line 109:80: E501 line too long (84 > 79 characters) Line 111:80: E501 line too long (81 > 79 characters) Line 113:42: W292 no newline at end of file

Line 13:1: E402 module level import not at top of file Line 21:80: E501 line too long (120 > 79 characters) Line 22:80: E501 line too long (118 > 79 characters) Line 30:80: E501 line too long (115 > 79 characters) Line 35:1: E302 expected 2 blank lines, found 1 Line 37:80: E501 line too long (82 > 79 characters) Line 45:80: E501 line too long (115 > 79 characters) Line 46:80: E501 line too long (93 > 79 characters) Line 47:80: E501 line too long (95 > 79 characters) Line 49:1: E302 expected 2 blank lines, found 1 Line 51:80: E501 line too long (81 > 79 characters) Line 59:80: E501 line too long (153 > 79 characters) Line 60:80: E501 line too long (93 > 79 characters) Line 61:80: E501 line too long (95 > 79 characters)

Line 2:10: E401 multiple imports on one line Line 11:1: E402 module level import not at top of file Line 12:1: E402 module level import not at top of file Line 19:80: E501 line too long (118 > 79 characters) Line 20:80: E501 line too long (119 > 79 characters) Line 22:80: E501 line too long (118 > 79 characters) Line 31:80: E501 line too long (82 > 79 characters) Line 34:43: W292 no newline at end of file

Line 1:10: E401 multiple imports on one line Line 11:1: E402 module level import not at top of file Line 12:1: E402 module level import not at top of file Line 18:80: E501 line too long (115 > 79 characters) Line 20:80: E501 line too long (114 > 79 characters)

Line 5:10: E401 multiple imports on one line Line 14:1: E402 module level import not at top of file Line 15:1: E402 module level import not at top of file Line 19:1: E303 too many blank lines (3) Line 23:80: E501 line too long (111 > 79 characters) Line 24:80: E501 line too long (87 > 79 characters) Line 34:80: E501 line too long (96 > 79 characters) Line 36:80: E501 line too long (118 > 79 characters) Line 43:80: E501 line too long (104 > 79 characters) Line 44:80: E501 line too long (119 > 79 characters) Line 50:80: E501 line too long (81 > 79 characters) Line 51:80: E501 line too long (97 > 79 characters) Line 58:1: E303 too many blank lines (3) Line 60:80: E501 line too long (105 > 79 characters) Line 65:80: E501 line too long (98 > 79 characters) Line 66:80: E501 line too long (95 > 79 characters)

Comment last updated at 2020-01-20 17:56:20 UTC
Dlux804 commented 4 years ago

@qle2 Nice work with your doc-strings by the way. They helped a lot.

Dlux804 commented 4 years ago

@qle2 Is this ready to be reviewed again?