isblab / nestor

Tool for optimizing the multi-scale coarse-grained representation of integrative models
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IMP test #21

Closed shruthivis closed 5 months ago

shruthivis commented 7 months ago

Inherit from https://github.com/salilab/imp-sampcon/blob/main/test/medium_test_exhaust.py

  1. Check that python module is runnable
  2. Check that output files are present
  3. Check that evidences for each rep., we obtain are reasonable compared to a previous run of 3 replicates (10% of the mean, within 1 std error).
shruthivis commented 7 months ago
  1. make it in the style of an iMP module. pyext/src having nester_macro.py, wrapper.py, xl_datasplitter.py, compare_runs.
  2. pull the tests specific to nestor to the test dir.
  3. dependencies.py: see dependencies of PMI.
  4. Make sure that nested sampling macro works as a separate file.
  5. Put tests in nestor/test dir
  6. Current example can be in examples, along with its README.
  7. copy all other files from sampcon
shruthivis commented 7 months ago

https://github.com/isblab/pmi/blob/f8d982281bacccc81f5f6aab36699215051bc7ac/test/test_nested_sampling.py#L155 fix to setup setB.

https://github.com/isblab/pmi/blob/f8d982281bacccc81f5f6aab36699215051bc7ac/test/test_nested_sampling.py#L126C14-L126C80 change path name

Add tests for module runnability

Add tests for presence of output files

shruthivis commented 6 months ago

remove user specific dir names in test scripts and in yaml script. Assume tests are run from the test dir. test_that_works.py , modeling_testcase.py, nestor_params_optrep.yaml

shruthivis commented 6 months ago

make tests as light as possible: 3 replicates, rep5 instead of 10, etc.

shreyas-arvindekar commented 6 months ago

remove user specific dir names in test scripts and in yaml script. Assume tests are run from the test dir. test_that_works.py , modeling_testcase.py, nestor_params_optrep.yaml

Which file is this issue for?

shreyas-arvindekar commented 6 months ago

make tests as light as possible: 3 replicates, rep5 instead of 10, etc.

Done. See da7f7e7

shruthivis commented 6 months ago

remove user specific dir names in test scripts and in yaml script. Assume tests are run from the test dir. test_that_works.py , modeling_testcase.py, nestor_params_optrep.yaml

Which file is this issue for?

grep shreyas in all the above files and replace hardcoded paths in tests. E.g. dat_dir = "/home/shreyas/Projects/cgopt/imp_integration_stuff/cgimp/imp/modules/nestor/test/input/" in https://github.com/isblab/nestor/blob/imp-integration/test/modeling_testcase.py

use relative paths based on test dir

shruthivis commented 6 months ago

Remove these test functions: wrapper_test, test_self_consistency, testing of file outputs can be in the same test function as test_reproduci* Resolution = 10 alone.