Changeset d83d64 for tests/Python/AllActions/options.dat

Timestamp:

Jun 21, 2018, 9:12:08 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Children:

a951f3

Parents:

8d56a6

git-author:

Frederik Heber <frederik.heber@…> (09/26/17 22:30:01)

git-committer:

Frederik Heber <frederik.heber@…> (06/21/18 09:12:08)

Message:

Added Graph6Reader, extended BoostGraphCreator, added ChemicalSpaceEvaluatorAction.

• TESTS: due to new option "graph6" containing a digit we needed to modify moltest_check.py to also scan for digits and not just letters.

File:

• tests/Python/AllActions/options.dat (modified) (1 diff)

tests/Python/AllActions/options.dat

@@ -92 +92 @@
 fragment_path   "test/"
 fragment_prefix "BondFragment"
+graph6  "B`"
 grid_level      "5"
 help    "help"