better boolean selection operators

[dkoes]

within doesn't work inside of and/or. Should change these to get the set of atoms selected rather than calling atomIsSelected on each atom.

[bistaastha]

Hi @dkoes! I want to understand 3Dmol.js better and this shows up as a good first issue. Can I look into this?

[dkoes]

Sure, start by writing a test case.

[bistaastha]

Hi @dkoes ! I tried to write a test case for atomIsSelected. However, I am not able to figure out how to define AtomSpec and AtomSelectionSpec. Is there a way to define their properties without $3Dmol.download?

[dkoes]

Here are examples of using within:
http://3dmol.csb.pitt.edu/tests/auto/generate_test.cgi?test=test18
http://3dmol.csb.pitt.edu/tests/auto/generate_test.cgi?test=testComplexSelection

Here an example of using boolean selectors:
http://3dmol.csb.pitt.edu/tests/auto/generate_test.cgi?test=test71

[bistaastha]

@dkoes Thanks! I was actually working on a QUnit test for this 🤦‍♀️ . Seems like I got that wrong.

[bistaastha]

@dkoes Is there a way to build these tests locally?

[dkoes]

npm install 3dmol.js and then configure your local webserver to read from the 3dmol.js directory.