Development andres

[andreshyer]

qsardq_export.py

• New file that has a script to export out models in a way that complies with QsarDB structure (http://qsardb.org/)

• Also helps line out the ground to export our data in our own xml format is desired

storage.py

• Fixed minor bugs where storing and moving files behave differently on different os's

• Changed name "export_json" to "store", as not only json is being exported

features.py

• Changed how data is exported. Data_csv now contains which molecules are in test/train/val sets, lifting the need to store this in attributes.json, significantly reducing size.

main.py

• in single_model, example of how to use QsarDB_export

[pep8speaks]

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

• In the file core/qsardq_export.py:

Line 14:80: E501 line too long (99 > 79 characters) Line 15:80: E501 line too long (88 > 79 characters) Line 61:80: E501 line too long (80 > 79 characters) Line 71:80: E501 line too long (85 > 79 characters) Line 115:80: E501 line too long (98 > 79 characters) Line 150:80: E501 line too long (81 > 79 characters)

• In the file core/storage.py:

Line 70:80: E501 line too long (85 > 79 characters) Line 139:80: E501 line too long (107 > 79 characters) Line 141:80: E501 line too long (101 > 79 characters) Line 155:80: E501 line too long (91 > 79 characters)

• In the file main.py:

Line 156:80: E501 line too long (112 > 79 characters)

Comment last updated at 2020-07-06 15:27:34 UTC