Neo4j dev

[qle2]

This PR:

• Addressed most of the TODOs in Ontology TODO as of 8/6/2020

• Changed SMILES into Canonical SMILES in the pipeline

• Update variable in test_regressor

Docstring will be added to new lines and scripts to explain them

[pep8speaks]

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

• In the file core/features.py:

Line 23:80: E501 line too long (92 > 79 characters)

• In the file core/neo4j/make_query.py:

Line 15:80: E501 line too long (104 > 79 characters) Line 19:41: W291 trailing whitespace Line 23:37: W291 trailing whitespace Line 38:54: W291 trailing whitespace Line 40:80: E501 line too long (104 > 79 characters) Line 49:80: E501 line too long (106 > 79 characters) Line 53:41: W291 trailing whitespace Line 65:80: E501 line too long (103 > 79 characters) Line 76:37: W291 trailing whitespace Line 105:80: E501 line too long (107 > 79 characters) Line 106:80: E501 line too long (114 > 79 characters) Line 107:80: E501 line too long (113 > 79 characters)

• In the file core/neo4j/nodes_to_neo4j.py:

Line 29:80: E501 line too long (84 > 79 characters) Line 31:80: E501 line too long (108 > 79 characters) Line 40:80: E501 line too long (115 > 79 characters) Line 47:80: E501 line too long (83 > 79 characters) Line 53:80: E501 line too long (88 > 79 characters) Line 54:80: E501 line too long (84 > 79 characters) Line 60:80: E501 line too long (103 > 79 characters) Line 61:80: E501 line too long (94 > 79 characters) Line 93:80: E501 line too long (85 > 79 characters) Line 97:80: E501 line too long (81 > 79 characters) Line 129:80: E501 line too long (81 > 79 characters) Line 130:80: E501 line too long (88 > 79 characters) Line 131:80: E501 line too long (97 > 79 characters) Line 135:80: E501 line too long (81 > 79 characters) Line 136:80: E501 line too long (88 > 79 characters) Line 137:80: E501 line too long (97 > 79 characters) Line 182:80: E501 line too long (84 > 79 characters) Line 185:80: E501 line too long (119 > 79 characters) Line 188:80: E501 line too long (100 > 79 characters) Line 192:80: E501 line too long (120 > 79 characters) Line 192:121: E203 whitespace before ',' Line 202:80: E501 line too long (118 > 79 characters) Line 204:80: E501 line too long (89 > 79 characters) Line 206:80: E501 line too long (115 > 79 characters) Line 216:80: E501 line too long (86 > 79 characters) Line 217:80: E501 line too long (107 > 79 characters)

• In the file core/neo4j/output_to_neo4j.py:

Line 91:1: E305 expected 2 blank lines after class or function definition, found 1 Line 92:80: E501 line too long (88 > 79 characters)

• In the file core/neo4j/prep_from_outputs.py:

Line 31:49: E231 missing whitespace after ',' Line 49:80: E501 line too long (111 > 79 characters) Line 50:80: E501 line too long (80 > 79 characters) Line 51:80: E501 line too long (89 > 79 characters) Line 103:80: E501 line too long (81 > 79 characters)

• In the file core/neo4j/rel_to_neo4j.py:

Line 33:80: E501 line too long (118 > 79 characters) Line 35:80: E501 line too long (85 > 79 characters) Line 38:80: E501 line too long (91 > 79 characters) Line 39:77: W291 trailing whitespace Line 40:80: E501 line too long (85 > 79 characters) Line 43:80: E501 line too long (85 > 79 characters) Line 44:77: W291 trailing whitespace Line 45:80: E501 line too long (85 > 79 characters) Line 49:80: E501 line too long (85 > 79 characters) Line 50:74: W291 trailing whitespace Line 56:54: W291 trailing whitespace Line 59:80: E501 line too long (80 > 79 characters) Line 64:80: E501 line too long (98 > 79 characters) Line 74:80: E501 line too long (108 > 79 characters) Line 75:80: E501 line too long (95 > 79 characters) Line 76:80: E501 line too long (112 > 79 characters) Line 79:80: E501 line too long (112 > 79 characters) Line 81:80: E501 line too long (112 > 79 characters) Line 82:80: E501 line too long (99 > 79 characters) Line 83:80: E501 line too long (112 > 79 characters) Line 86:80: E501 line too long (114 > 79 characters) Line 88:80: E501 line too long (108 > 79 characters) Line 92:80: E501 line too long (104 > 79 characters) Line 92:105: W291 trailing whitespace Line 101:80: E501 line too long (108 > 79 characters) Line 103:80: E501 line too long (102 > 79 characters) Line 105:80: E501 line too long (81 > 79 characters) Line 108:80: E501 line too long (93 > 79 characters) Line 113:80: E501 line too long (106 > 79 characters) Line 115:80: E501 line too long (83 > 79 characters) Line 118:80: E501 line too long (103 > 79 characters) Line 118:104: W291 trailing whitespace Line 124:80: E501 line too long (99 > 79 characters) Line 124:100: W291 trailing whitespace Line 130:80: E501 line too long (120 > 79 characters) Line 134:80: E501 line too long (96 > 79 characters) Line 135:80: E501 line too long (108 > 79 characters) Line 136:80: E501 line too long (87 > 79 characters) Line 141:80: E501 line too long (103 > 79 characters) Line 141:104: W291 trailing whitespace Line 146:80: E501 line too long (103 > 79 characters) Line 146:104: W291 trailing whitespace Line 151:80: E501 line too long (83 > 79 characters) Line 159:80: E501 line too long (109 > 79 characters) Line 165:80: E501 line too long (120 > 79 characters) Line 167:80: E501 line too long (101 > 79 characters) Line 173:80: E501 line too long (117 > 79 characters) Line 173:118: W291 trailing whitespace Line 174:80: E501 line too long (101 > 79 characters) Line 174:102: W291 trailing whitespace Line 175:80: E501 line too long (97 > 79 characters) Line 176:80: E501 line too long (112 > 79 characters) Line 181:80: E501 line too long (107 > 79 characters) Line 181:108: W291 trailing whitespace Line 188:80: E501 line too long (94 > 79 characters) Line 188:95: W291 trailing whitespace Line 195:80: E501 line too long (100 > 79 characters) Line 195:101: W291 trailing whitespace Line 196:80: E501 line too long (114 > 79 characters) Line 201:80: E501 line too long (94 > 79 characters) Line 201:95: W291 trailing whitespace Line 204:80: E501 line too long (107 > 79 characters) Line 208:80: E501 line too long (81 > 79 characters)

• In the file core/storage/dictionary.py:

Line 2:80: E501 line too long (90 > 79 characters)

• In the file main.py:

Line 119:80: E501 line too long (96 > 79 characters) Line 213:7: E114 indentation is not a multiple of four (comment) Line 213:7: E117 over-indented (comment)

Comment last updated at 2020-08-10 14:45:37 UTC