Creating a test suite for the project. Right now it's got integration tests for findMatching, analysis.crystallography and produceTransition. There's also unit tests for the cryst file, reading the poscars, and the LAP routine.
To finish the testing, I need to write a few tests. We need some more unit tests for pieces of the optimization (notably, we should probably have one on mapping), some tests for the interface code, and I need to figure out a good way to test the two types of restarts. Also, the code's dependence on related files (like testmat.txt) is pretty brittle right now.
Creating a test suite for the project. Right now it's got integration tests for
findMatching,analysis.crystallographyandproduceTransition. There's also unit tests for the cryst file, reading the poscars, and the LAP routine.To finish the testing, I need to write a few tests. We need some more unit tests for pieces of the optimization (notably, we should probably have one on
mapping), some tests for the interface code, and I need to figure out a good way to test the two types of restarts. Also, the code's dependence on related files (liketestmat.txt) is pretty brittle right now.