tests/testthat/test_mol_conf_for_fps.R

# Here we put tests to verify that we correctly configure the molecules before
# fingerprint caculation. This is inspired by the rcdk github issue #94:
#   Link: https://github.com/CDK-R/cdkr/issues/94

library(rcdkTools)

# TODO: Implement test!
bachi55/rcdkTools documentation built on Nov. 3, 2019, 2:06 p.m.