Changeset f5ea10 for tests

Timestamp:

Jun 22, 2018, 7:26:09 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.6.1, ChemicalSpaceEvaluator

Children:

99c705

Parents:

8d56a6

git-author:

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

git-committer:

Frederik Heber <frederik.heber@…> (06/22/18 07:26:09)

Message:

Added Graph6Reader, extended BoostGraphCreator, added ChemicalSpaceEvaluatorAction.

• added visible generateAllInducedSubgraphs to Extractors.
• 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.
• DOCU: Added evaluate-chemical-space to userguide.

Location:

tests/Python/AllActions

Files:

• moltest_check.py (modified) (1 diff)
• options.dat (modified) (1 diff)

tests/Python/AllActions/moltest_check.py

@@ -24 +24 @@
 def CheckParameters(docstring):
     result = 0
-    params = re.findall(r'\(str\)([-_a-zA-Z]*)', docstring)
+    params = re.findall(r'\(str\)([-_a-zA-Z0-9]*)', docstring)
 
     for param in params:

tests/Python/AllActions/options.dat

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